%chk=000010089.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010089

0 1
 O   -5.600800     -0.3573000       1.253500    
 O    1.387300      0.2547000      -2.601100    
 N   -3.031400     -0.5610000      4.5899998E-02
 C   0.8712000     -8.5000001E-02 -0.2177000    
 C   -1.789600      1.7000001E-02 -0.4637000    
 C  -0.5514000     -0.5412000      0.2842000    
 C   -3.186600     -0.2821000       1.480300    
 C   -4.190300     -4.4599999E-02 -0.6957000    
 C   0.9621000       1.454400     -1.7400000E-02
 C    2.031600     -0.7889000      0.5562000    
 C    1.084300     -0.5431000      -1.709600    
 C   -1.692500     -0.2945000      -1.960000    
 C   -4.494200     -0.8846000       1.986100    
 C   -5.474600     -0.6516000     -0.1382000    
 C    1.033000      -2.040100      -2.015000    
 C    1.495100       1.911000       1.152400    
 C    3.305700     -0.4594000      0.2100000    
 C   0.5038000       2.252900      -1.024200    
 C    1.688300      -1.682500       1.523600    
 C    1.246100      -2.341500      -3.489700    
 C    1.576900       3.291900       1.332100    
 C    4.341900      -1.087600      0.9010000    
 C   0.5858000       3.633700     -0.8445000    
 C    2.724500      -2.310500       2.214500    
 C    1.122400       4.153100      0.3337000    
 C    4.051300      -2.013000       1.903200    
 H   -1.827500       1.105400     -0.3372000    
 H  -0.6171000     -0.2411000       1.336800    
 H  -0.6328000      -1.635400      0.2451000    
 H   -3.183000      0.7995000       1.666700    
 H   -2.397800     -0.7434000       2.080200    
 H   -4.239800       1.049700     -0.6290000    
 H   -4.192300     -0.3373000      -1.747600    
 H   -1.711500      -1.368600      -2.164400    
 H   -2.523000      0.1432000      -2.522500    
 H  -0.8767000      0.1741000      -2.485500    
 H   -4.492800      -1.978900       1.909600    
 H   -4.641000     -0.6269000       3.040000    
 H   -6.343300     -0.2220000     -0.6478000    
 H   -5.507600      -1.738200     -0.2862000    
 H   8.1400000E-02  -2.465300      -1.694400    
 H    1.827400      -2.542100      -1.454900    
 H    1.819300       1.279500       1.970900    
 H    3.546000      0.2554000     -0.5696000    
 H   3.5900000E-02   1.923400      -1.937400    
 H   0.6845000      -1.950700       1.820200    
 H    2.220500      -1.976400      -3.830800    
 H    1.206400      -3.420700      -3.667100    
 H   0.4739000      -1.865400      -4.102900    
 H    1.984800       3.696900       2.253700    
 H    5.375000     -0.8566000      0.6582000    
 H   0.2216000       4.305600      -1.616500    
 H    2.499500      -3.029800       2.996700    
 H    1.181600       5.228300      0.4756000    
 H    4.858100      -2.501800       2.441500    


%chk=000010089-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010089

0 1
O -5.507287 -0.172903 1.679699
O 1.878284 0.220218 -2.656105
N -3.020912 -0.342266 0.156939
C 0.840317 -0.178302 -0.437257
C -1.821689 0.074799 -0.656799
C -0.599290 -0.702598 -0.083538
C -3.113934 0.432200 1.426613
C -4.344009 -0.309876 -0.519359
C 0.886914 1.341597 -0.140411
C 1.927294 -0.914766 0.410284
C 1.273216 -0.577835 -1.892640
C -2.010568 -0.161715 -2.167661
C -4.192667 -0.165576 2.342665
C -5.409821 -0.913762 0.412531
C 1.032322 -2.030760 -2.329066
C 1.022984 1.757216 1.211513
C 3.275079 -0.477838 0.293769
C 0.676133 2.341009 -1.126100
C 1.646803 -2.015703 1.257467
C 1.987915 -2.483211 -3.449832
C 0.953687 3.120314 1.570970
C 4.308415 -1.112815 1.012390
C 0.615106 3.707600 -0.769418
C 2.681883 -2.651022 1.983035
C 0.750537 4.106574 0.578852
C 4.016264 -2.204413 1.864289
H -1.647161 1.166216 -0.513957
H -0.681151 -0.674634 1.018639
H -0.712551 -1.763600 -0.372484
H -3.358948 1.504746 1.222871
H -2.140739 0.411995 1.950540
H -4.654399 0.730344 -0.793099
H -4.311803 -0.912733 -1.442686
H -2.200116 -1.228004 -2.393537
H -2.845407 0.434619 -2.574145
H -1.103000 0.148794 -2.713221
H -3.909428 -1.203234 2.623624
H -4.325690 0.443407 3.252339
H -6.412877 -0.851306 -0.041835
H -5.156147 -1.976513 0.618547
H -0.016701 -2.107115 -2.679261
H 1.111938 -2.697217 -1.450879
H 1.197318 1.005935 1.990661
H 3.505670 0.369177 -0.362619
H 0.586016 2.061881 -2.177733
H 0.623390 -2.386423 1.368066
H 3.035412 -2.473065 -3.100597
H 1.740060 -3.508640 -3.777415
H 1.923811 -1.806993 -4.318441
H 1.063531 3.411454 2.621934
H 5.339624 -0.757394 0.908144
H 0.462789 4.460681 -1.551072
H 2.442534 -3.495583 2.639296
H 0.703541 5.166829 0.851834
H 4.817109 -2.699189 2.424957


