%chk=000039046.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039046

0 1
 O  -0.5903000      -1.048800     -0.9849000    
 O  -0.2478000      -1.924400       1.141000    
 O   -2.033900       3.067900      0.9335000    
 C   0.6202000      -3.070500     -0.8257000    
 C    2.081800      -2.657300      -1.080400    
 C    2.889700      -2.467300      0.2061000    
 C   0.4373000      -4.411700     -9.5500000E-02
 C  -0.8176000       1.191500     -1.8900000E-02
 C  -0.1153000      -1.963700     -7.6200001E-02
 C   -1.271300     -1.1000000E-02 -0.4244000    
 C    4.355000      -2.155600     -0.1018000    
 C   0.5460000       1.717000     -4.9699999E-02
 C   -2.704100     -0.1252000     -0.2284000    
 C   -3.165500       1.065200      0.3177000    
 C   -2.010900       1.944300      0.4746000    
 C   -1.002500      -4.901700     -1.1500000E-02
 C    1.409700       1.527100       1.040100    
 C    1.015300       2.420900      -1.169600    
 C    5.171600      -2.003900       1.171500    
 C   -3.589600      -1.156300     -0.4892000    
 C    2.710700       2.029100       1.010800    
 C    2.316500       2.922800      -1.198900    
 C   -4.492300       1.290600      0.6276000    
 C    3.164100       2.726900     -0.1087000    
 C   0.9615000      0.7841000       2.258100    
 C   0.1373000       2.652000      -2.358000    
 C   -4.941900     -0.9593000     -0.1866000    
 C   -5.389100      0.2543000      0.3672000    
 C    4.555500       3.263000     -0.1400000    
 H   0.1327000      -3.178700      -1.804800    
 H    2.101500      -1.722400      -1.654800    
 H    2.560000      -3.423300      -1.703300    
 H    2.468900      -1.651700      0.8006000    
 H    2.847500      -3.374200      0.8184000    
 H   0.8285000      -4.349700      0.9266000    
 H    1.029900      -5.176900     -0.6119000    
 H    4.422700      -1.230600     -0.6863000    
 H    4.787600      -2.957800     -0.7109000    
 H   -1.628700      -4.220800      0.5725000    
 H   -1.439400      -4.997900      -1.010500    
 H   -1.038300      -5.884300      0.4698000    
 H    5.151500      -2.924700       1.763200    
 H    4.783700      -1.188500       1.790600    
 H    6.214700      -1.778900      0.9282000    
 H   -3.256800      -2.096400     -0.9164000    
 H    3.374300       1.872300       1.858000    
 H    2.676300       3.465500      -2.069900    
 H   -4.830400       2.227600       1.054100    
 H    1.349800       1.276400       3.157900    
 H    1.349700     -0.2369000       2.244800    
 H  -0.1231000      0.7508000       2.386400    
 H  -0.7601000       3.211400      -2.074100    
 H  -0.1536000       1.700000      -2.814000    
 H   0.6464000       3.236800      -3.132300    
 H   -5.657400      -1.753900     -0.3817000    
 H   -6.444100      0.3833000      0.5936000    
 H    4.617800       4.167400     -0.7548000    
 H    5.237700       2.512100     -0.5508000    
 H    4.896300       3.535100      0.8647000    


%chk=000039046-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039046

0 1
O -0.940041 -1.187383 -0.823709
O 0.054127 -1.821025 1.213564
O -1.992365 3.135947 1.166707
C 0.668748 -2.999025 -0.888740
C 2.051042 -2.404148 -1.332576
C 3.087179 -2.210153 -0.203323
C 0.799648 -4.363284 -0.163736
C -0.978026 1.075839 0.217776
C -0.049957 -1.991097 -0.010121
C -1.575660 -0.067350 -0.267369
C 4.407320 -1.598000 -0.726174
C 0.460293 1.435904 0.246523
C -3.057265 -0.007515 -0.193628
C -3.395968 1.246193 0.386659
C -2.106563 1.983897 0.669129
C -0.553652 -5.080868 0.024590
C 1.139118 1.579415 1.494793
C 1.156634 1.678084 -0.978741
C 5.458607 -1.421172 0.390420
C -4.048844 -0.924540 -0.562934
C 2.501696 1.959021 1.495228
C 2.518347 2.060452 -0.930155
C -4.726166 1.609740 0.610917
C 3.211840 2.205368 0.295689
C 0.425094 1.305059 2.805343
C 0.456245 1.566535 -2.323751
C -5.409302 -0.558043 -0.342010
C -5.745865 0.686376 0.234634
C 4.679726 2.594677 0.319790
H 0.058747 -3.125638 -1.803215
H 1.879118 -1.434411 -1.840835
H 2.464125 -3.094516 -2.095971
H 2.671438 -1.553182 0.585202
H 3.307524 -3.183501 0.278756
H 1.275230 -4.207990 0.821576
H 1.483738 -4.999372 -0.758951
H 4.189277 -0.614641 -1.189648
H 4.821664 -2.242178 -1.529309
H -1.236706 -4.485372 0.658442
H -1.053980 -5.257982 -0.946366
H -0.415735 -6.060428 0.516715
H 5.714329 -2.392966 0.853439
H 5.072228 -0.761220 1.189991
H 6.393851 -0.977273 0.001390
H -3.792266 -1.890148 -1.009727
H 3.018307 2.067614 2.457341
H 3.044915 2.264325 -1.871562
H -4.971660 2.575743 1.064178
H 1.127357 1.347160 3.655311
H -0.042214 0.303279 2.792603
H -0.372340 2.048550 2.988059
H -0.450292 2.198753 -2.361761
H 0.131921 0.529898 -2.534112
H 1.125338 1.885042 -3.141355
H -6.206645 -1.254530 -0.623932
H -6.798551 0.942762 0.394402
H 4.942799 3.234091 -0.541458
H 5.329831 1.698699 0.275145
H 4.938361 3.141625 1.243555


