%chk=000189248.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189248

0 1
O 3.517080 1.086893 2.134876
O 1.604792 -2.649782 0.580292
O 0.552690 1.692950 -2.158261
O -1.042416 -0.903893 2.292622
O 3.709241 -3.505966 0.233230
O -5.183090 0.867804 1.740402
N 5.417538 0.196371 -0.102272
N 2.498116 0.987736 -0.070521
N -2.934100 -0.153357 0.632669
N 2.031129 -3.691795 -1.369741
C 4.260747 -0.590144 0.427223
C 3.138854 0.214389 1.093624
C 4.334616 -0.191526 -1.053838
C 3.333779 0.941775 -1.309718
C 1.934731 -0.538939 1.779738
C 1.136886 0.701554 -0.087283
C 0.745249 -0.050708 0.990297
C 1.997189 -2.060275 1.862285
C 0.150448 1.205112 -1.121338
C -0.634607 -0.308810 1.312994
C 4.477196 2.137583 1.875022
C -1.266304 1.021880 -0.769888
C -1.657335 0.249550 0.291169
C -2.203814 1.770347 -1.658150
C 2.566362 -3.318721 -0.142078
C -4.112721 -0.039625 -0.161207
C -5.302839 0.469661 0.430170
C -4.174841 -0.508880 -1.480419
C -6.502736 0.535477 -0.281058
C -5.375126 -0.437545 -2.197318
C -6.527371 0.082767 -1.605449
H 4.405833 -1.614959 0.794985
H 4.498516 -0.900162 -1.864809
H 6.281514 -0.346551 -0.183902
H 3.848167 1.924349 -1.419285
H 2.719975 0.782650 -2.221237
H 1.873418 -0.145141 2.837367
H 1.194426 -2.444866 2.529278
H 2.985052 -2.442586 2.175601
H 4.255723 2.654131 0.938102
H 5.483970 1.709309 1.858851
H 4.329343 2.795594 2.738729
H -3.080910 2.144058 -1.113927
H -2.554323 1.156064 -2.499582
H -1.707178 2.647229 -2.107225
H -3.086750 -0.460817 1.608905
H 1.037158 -3.601896 -1.529950
H 2.507106 -4.408361 -1.900605
H -3.280855 -0.930945 -1.943617
H -7.401486 0.933626 0.181162
H -5.406017 -0.797453 -3.224777
H -7.456659 0.135367 -2.172707
H -6.040966 1.203779 2.103366


%chk=000189248-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189248

0 1
O 3.428596 1.139952 2.098536
O 1.750205 -2.651250 0.315714
O 0.765157 1.962712 -2.120381
O -1.198439 -0.757485 2.261251
O 3.741318 -3.909411 0.555800
O -5.231099 0.623001 1.959332
N 5.465425 0.139908 0.077218
N 2.538125 0.722346 -0.170436
N -2.948735 0.274890 0.609465
N 2.427541 -3.984588 -1.386359
C 4.293890 -0.700576 0.582633
C 3.104094 0.121266 1.094445
C 4.463356 -0.446179 -0.904823
C 3.417174 0.583028 -1.361663
C 1.879441 -0.617060 1.753277
C 1.162952 0.685055 -0.118254
C 0.707951 0.009050 1.007199
C 1.844027 -2.154602 1.716682
C 0.257879 1.335638 -1.118725
C -0.688977 -0.123270 1.260367
C 4.075328 2.389197 1.641677
C -1.183530 1.256596 -0.866523
C -1.642139 0.512905 0.230565
C -2.059240 2.117432 -1.753635
C 2.734038 -3.557118 -0.112849
C -4.145730 0.206439 -0.134635
C -5.369903 0.362207 0.584042
C -4.210409 -0.123502 -1.512526
C -6.613942 0.245078 -0.066717
C -5.455648 -0.238566 -2.166660
C -6.658773 -0.046099 -1.449966
H 4.497669 -1.682812 1.015663
H 4.771851 -1.242486 -1.588260
H 6.338388 -0.421802 0.106080
H 3.890028 1.544725 -1.624962
H 2.826896 0.235944 -2.224902
H 1.888771 -0.329674 2.820637
H 0.925313 -2.498330 2.220120
H 2.730844 -2.606530 2.195060
H 3.438495 2.903783 0.897000
H 5.067746 2.185478 1.210852
H 4.150879 3.004729 2.552309
H -2.956977 2.468232 -1.218709
H -2.400399 1.602283 -2.672104
H -1.470637 2.987994 -2.088986
H -3.005425 -0.074819 1.584713
H 1.564937 -3.683162 -1.833870
H 3.032097 -4.670370 -1.829500
H -3.282248 -0.319749 -2.054965
H -7.543536 0.382657 0.500379
H -5.484293 -0.492224 -3.231170
H -7.625814 -0.132906 -1.955541
H -6.110112 0.666348 2.408902


