%chk=000040214.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040214

0 1
 O  -4.4199999E-02  0.3855000     -0.6493000    
 O   0.6563000      -2.374200     -0.9236000    
 O   0.7536000      -2.656900       1.358800    
 N   -3.518200      0.8911000      0.4737000    
 C    1.383400       2.842500     -0.7020000    
 C    1.974100       1.577500     -0.1719000    
 C    1.237600      0.3929000     -0.1647000    
 C   -2.415400      0.6290000     -0.4504000    
 C   -1.082900      0.6615000      0.2811000    
 C    1.806600     -0.7789000      0.3344000    
 C   -4.701700       1.341900     -0.2575000    
 C   -3.825500     -0.3060000       1.255400    
 C    3.279300       1.590300      0.3199000    
 C    3.111800     -0.7661000      0.8263000    
 C    2.149900       3.381300      -1.923800    
 C    1.277900       3.937600      0.3752000    
 C    3.848100      0.4185000      0.8191000    
 C   -5.198400      0.2697000      -1.212500    
 C   -4.928600     -3.4800000E-02   2.264400    
 C    3.747700      -2.005200       1.367600    
 C    1.033000      -2.016100      0.3401000    
 C  -0.1122000      -3.575600      -1.049300    
 C  -0.4323000      -3.805700      -2.510900    
 H   0.3614000       2.669300      -1.057300    
 H   -2.368200       1.398400      -1.233300    
 H   -2.514600     -0.3295000     -0.9768000    
 H  -0.9284000       1.646700      0.7375000    
 H   -1.043200     -8.9400001E-02   1.076600    
 H   -5.504200       1.662900      0.4149000    
 H   -4.451600       2.244500     -0.8305000    
 H   -4.065100      -1.187400      0.6500000    
 H   -2.947400     -0.5880000       1.847200    
 H    3.872600       2.500500      0.3252000    
 H    3.170500       3.685200      -1.667600    
 H    1.639000       4.255100      -2.342900    
 H    2.213300       2.620400      -2.709700    
 H    2.262700       4.268100      0.7225000    
 H   0.7189000       3.577100       1.245700    
 H   0.7543000       4.814900     -2.0099999E-02
 H    4.865600      0.4465000       1.200100    
 H   -6.034200      0.6815000      -1.791400    
 H   -5.595300     -0.6139000     -0.7051000    
 H   -4.451900     -4.4900000E-02  -1.947000    
 H   -4.740900      0.8823000       2.833400    
 H   -5.916700      3.2800000E-02   1.799600    
 H   -4.976900     -0.8593000       2.984700    
 H    3.291900      -2.282400       2.323500    
 H    3.649600      -2.836400      0.6613000    
 H    4.820400      -1.865400       1.542000    
 H   -1.041100      -3.473500     -0.4773000    
 H   0.4658000      -4.419800     -0.6575000    
 H  -0.9941000      -2.959200      -2.919400    
 H   0.4880000      -3.889500      -3.098300    
 H   -1.020900      -4.717600      -2.643600    


%chk=000040214-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040214

0 1
O -0.243551 0.738855 -0.834655
O 1.104230 -2.862068 -0.852432
O -0.524275 -1.921770 0.509318
N -3.731299 0.859055 0.502545
C 1.411425 3.139331 -0.700757
C 1.910147 1.760751 -0.264694
C 1.068892 0.617301 -0.319394
C -2.654182 0.858527 -0.515269
C -1.297555 1.044092 0.179462
C 1.547707 -0.678693 0.032978
C -4.941106 1.628547 0.130133
C -3.973195 -0.486382 1.086177
C 3.237209 1.568683 0.188546
C 2.891149 -0.854489 0.475896
C 2.251896 3.693003 -1.882191
C 1.398295 4.140296 0.485577
C 3.713684 0.295047 0.558998
C -5.800892 1.045037 -1.026889
C -4.677575 -0.435771 2.454572
C 3.450435 -2.211126 0.870754
C 0.596871 -1.836735 -0.052181
C 0.232442 -4.070503 -0.997984
C 0.977957 -5.041604 -1.907456
H 0.374722 3.014157 -1.063089
H -2.818974 1.683446 -1.232824
H -2.614863 -0.084086 -1.106235
H -1.175676 2.082795 0.545595
H -1.195618 0.338579 1.021893
H -5.572625 1.738438 1.031689
H -4.613946 2.650477 -0.142955
H -4.556752 -1.140641 0.390641
H -2.988546 -0.973976 1.207964
H 3.912192 2.430941 0.249989
H 3.308485 3.842309 -1.590381
H 1.853026 4.669856 -2.213678
H 2.231521 3.000427 -2.742461
H 2.419245 4.310702 0.876208
H 0.777218 3.766904 1.320203
H 0.993224 5.117598 0.162992
H 4.744681 0.182873 0.913526
H -6.655063 1.713999 -1.243190
H -6.208781 0.050450 -0.770081
H -5.207186 0.941891 -1.954172
H -4.108215 0.204235 3.151677
H -5.705779 -0.036368 2.381848
H -4.745604 -1.452068 2.885091
H 2.782778 -2.744844 1.571870
H 3.571210 -2.860572 -0.014038
H 4.433477 -2.096374 1.358214
H -0.734713 -3.747218 -1.423371
H 0.042528 -4.486828 0.008198
H 1.171583 -4.586107 -2.893433
H 1.944781 -5.336661 -1.464529
H 0.372158 -5.953917 -2.057714


