%chk=000207037.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207037

0 1
O 2.813086 -4.489596 -0.190458
O 1.684113 1.254873 1.873035
O -4.876852 -2.379543 1.103810
N 2.617738 -1.649512 0.030692
N 0.682841 0.427539 -0.002864
C -0.571452 1.199761 0.201531
C 2.068213 -2.546498 1.102319
C 3.812269 -2.292100 -0.611808
C 2.981841 -0.315354 0.597227
C -0.818125 2.159111 -0.982297
C 1.676852 -3.887376 0.463585
C 3.374042 -3.639312 -1.209750
C 1.731143 0.512643 0.899568
C -1.726582 0.231945 0.375808
C 0.172478 3.284549 -1.118968
C -2.198922 -0.545500 -0.686497
C -2.319564 0.101190 1.647300
C 0.963885 3.729461 -0.051121
C 0.274824 3.929876 -2.364786
C -3.257120 -1.443401 -0.508837
C -3.371884 -0.780604 1.852401
C -3.833765 -1.549320 0.761889
C 1.843576 4.801521 -0.225944
C 1.154103 5.001208 -2.533529
C 1.941511 5.441525 -1.464502
C -5.446260 -3.215959 0.067991
H -0.446136 1.815195 1.143555
H 2.786127 -2.718569 1.933267
H 1.169877 -2.060349 1.542685
H 4.181822 -1.624471 -1.418868
H 4.652392 -2.451905 0.098191
H 3.593564 -0.365094 1.527803
H 3.592230 0.251667 -0.143968
H -0.859373 1.583451 -1.930220
H -1.834107 2.600563 -0.863802
H 1.408851 -4.646566 1.219490
H 0.859945 -3.770625 -0.269856
H 2.632292 -3.507057 -2.016929
H 4.232410 -4.233589 -1.569466
H 0.714055 -0.233336 -0.776980
H -1.743030 -0.457807 -1.673073
H -1.946755 0.697643 2.483077
H 0.912928 3.233804 0.924249
H -0.332935 3.597874 -3.203047
H -3.610637 -2.035417 -1.345317
H -3.844668 -0.893315 2.825676
H 2.455037 5.136313 0.611177
H 1.226158 5.495358 -3.500658
H 2.625180 6.276270 -1.596729
H -4.695988 -3.915003 -0.311825
H -6.234960 -3.746561 0.618016
H -5.872069 -2.598803 -0.728143


%chk=000207037-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207037

0 1
O 2.561365 -4.203359 -0.780499
O 1.581532 1.396036 2.274315
O -4.874010 -2.553857 1.229354
N 2.551483 -1.466357 0.184209
N 0.703667 0.501631 0.292406
C -0.587308 1.218832 0.318173
C 1.862250 -2.552319 0.938613
C 3.712558 -2.010169 -0.570370
C 2.875952 -0.305911 1.046338
C -0.771334 2.113455 -0.937181
C 1.417616 -3.659023 -0.029233
C 3.233619 -3.121932 -1.519161
C 1.652980 0.606877 1.279744
C -1.745297 0.230246 0.502860
C 0.308066 3.165823 -1.182474
C -2.154592 -0.642882 -0.533763
C -2.405308 0.131756 1.756305
C 1.075194 3.739634 -0.135427
C 0.517037 3.636259 -2.505502
C -3.188787 -1.587047 -0.342357
C -3.439577 -0.798089 1.967399
C -3.835509 -1.663108 0.916728
C 2.014401 4.760601 -0.407983
C 1.453573 4.657105 -2.780549
C 2.206977 5.227175 -1.728245
C -5.324543 -3.466789 0.176304
H -0.539860 1.862127 1.215894
H 2.537817 -2.986270 1.714467
H 0.977659 -2.130229 1.450959
H 4.172892 -1.194236 -1.158930
H 4.489038 -2.425323 0.116593
H 3.271646 -0.590745 2.046263
H 3.652933 0.306002 0.549219
H -0.860152 1.475646 -1.838825
H -1.754562 2.616534 -0.829351
H 0.988783 -4.514948 0.516772
H 0.660813 -3.254456 -0.737123
H 2.536317 -2.692144 -2.271428
H 4.083923 -3.599441 -2.033127
H 0.905415 -0.221048 -0.414903
H -1.669806 -0.595454 -1.517121
H -2.098235 0.789946 2.577701
H 0.963714 3.385487 0.895488
H -0.063467 3.199470 -3.328883
H -3.479637 -2.244035 -1.167689
H -3.952762 -0.874261 2.930735
H 2.598094 5.188004 0.415340
H 1.595353 5.005546 -3.810186
H 2.934861 6.019878 -1.935188
H -4.508024 -4.139690 -0.151350
H -6.129961 -4.058662 0.635062
H -5.720599 -2.911487 -0.696297


