%chk=000274161.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274161

0 1
O -1.722950 1.158976 0.862468
O 1.149549 1.471700 -2.618537
O -0.899384 -1.912101 -0.948147
O 0.528256 -2.912938 -2.348579
N -4.603277 2.469255 -0.362456
N -1.764660 2.253384 -1.130265
N 0.545076 0.305718 -0.743789
C -3.791385 -1.244797 0.479641
C -4.340396 0.179356 0.719937
C -3.855991 1.183554 -0.341464
C -4.084369 -2.125924 1.699665
C -4.388255 -1.868682 -0.788347
C -2.370067 1.526393 -0.110031
C 1.284145 -0.905201 -1.122961
C 2.121332 -1.452250 0.051681
C -0.334265 2.593086 -1.063395
C 3.260264 -0.525349 0.381204
C 0.521345 1.421792 -1.576858
C 0.320584 -2.012930 -1.573158
C 4.441642 -0.568508 -0.374947
C 3.145593 0.383072 1.443547
C 5.499824 0.289541 -0.065338
C 4.208820 1.237468 1.749128
C 5.386773 1.192310 0.997255
H -2.676653 -1.171966 0.358385
H -4.017109 0.520454 1.726616
H -5.444906 0.155428 0.742102
H -3.956278 0.713270 -1.360824
H -3.692499 -3.139509 1.561501
H -5.158202 -2.215623 1.893345
H -3.616334 -1.720862 2.604781
H -4.124470 -1.296700 -1.684339
H -4.033918 -2.894648 -0.933080
H -5.482044 -1.916949 -0.739062
H 1.958333 -0.668407 -2.005498
H 2.515254 -2.459213 -0.210671
H 1.476839 -1.615084 0.941923
H -5.571221 2.315140 -0.633888
H -4.616685 2.899615 0.560037
H -2.299156 2.640921 -1.903820
H -0.120244 3.487142 -1.694652
H -0.035958 2.853265 -0.017000
H -0.035376 0.255734 0.108127
H 4.535324 -1.265814 -1.205544
H 2.228629 0.428378 2.028302
H 6.414492 0.255927 -0.655547
H 4.117417 1.940919 2.575165
H 6.212719 1.858859 1.236206
H -1.538457 -2.620898 -1.234119


%chk=000274161-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274161

0 1
O -1.133732 -0.015331 0.253198
O 0.743220 2.660261 -3.021620
O 0.223916 -0.426401 -3.977166
O 2.422043 -0.263113 -4.706398
N -4.184729 0.288271 -1.743893
N -2.009676 1.668575 -1.113109
N 0.857000 0.821724 -1.594609
C -3.765235 -0.291128 2.096967
C -4.343400 0.125619 0.719210
C -3.475539 -0.197671 -0.531535
C -4.722982 0.183644 3.216439
C -3.519553 -1.815576 2.194316
C -2.095423 0.487937 -0.431213
C 1.937927 0.171467 -2.329108
C 2.367664 -1.146135 -1.604529
C -0.822427 2.536208 -1.106055
C 2.958761 -0.891515 -0.224801
C 0.327961 2.021307 -2.006249
C 1.584875 -0.157745 -3.785329
C 4.324786 -0.531929 -0.091118
C 2.160049 -0.987264 0.943873
C 4.883481 -0.274902 1.180266
C 2.717440 -0.730729 2.217352
C 4.079864 -0.374091 2.340492
H -2.789236 0.214348 2.232386
H -4.544428 1.216614 0.719696
H -5.321965 -0.384810 0.582487
H -3.277105 -1.288654 -0.556965
H -4.310591 -0.055073 4.213815
H -5.708626 -0.314745 3.132498
H -4.890380 1.276451 3.171526
H -2.728905 -2.140993 1.496144
H -3.193176 -2.089173 3.214693
H -4.445051 -2.383782 1.974009
H 2.811729 0.846879 -2.397341
H 3.111128 -1.646503 -2.250805
H 1.484184 -1.807716 -1.533626
H -3.912708 -0.193362 -2.608042
H -5.203569 0.324183 -1.637050
H -2.839348 1.862492 -1.698270
H -1.106417 3.534127 -1.472732
H -0.452765 2.622408 -0.066505
H 0.423399 0.358141 -0.776665
H 4.954373 -0.460051 -0.987364
H 1.100232 -1.259407 0.863084
H 5.941511 -0.002714 1.267139
H 2.087406 -0.808681 3.110547
H 4.511993 -0.177796 3.328265
H 0.079726 -0.627361 -4.941602


