%chk=000197351.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197351

0 1
O -1.570945 -3.880810 -0.506383
O 0.001553 1.944117 -0.161429
O -3.440046 -2.198843 0.034466
O 3.837156 2.595493 -0.855303
O 4.391579 -1.466810 0.242142
N 1.946853 0.383740 -0.890953
N 4.487463 0.673341 1.020286
N 5.181257 0.352876 2.214076
C -0.294883 -0.394362 -0.384741
C 1.050287 -0.665892 -0.702104
C -1.229396 -1.480846 -0.311329
C 3.375619 0.198690 -1.179212
C -2.199220 1.202826 0.205653
C -0.758841 0.976790 -0.123227
C -3.109415 0.133345 0.259793
C -2.649118 -1.254864 -0.004882
C -0.787397 -2.782596 -0.533897
C 1.484636 -2.036405 -0.881630
C 0.597544 -3.064373 -0.807990
C 3.950054 1.504285 -1.774246
C -2.643843 2.505648 0.461151
C -4.454785 0.370612 0.566292
C 4.138234 -0.280519 0.080686
C -3.989527 2.739758 0.768242
C -4.893032 1.675460 0.820314
H 3.507118 -0.620034 -1.948601
H 1.677100 1.318107 -0.521693
H 2.551309 -2.240541 -1.043351
H 0.891909 -4.109093 -0.936901
H 5.044456 1.417170 -1.933740
H 3.452684 1.758889 -2.728241
H -1.928270 3.332794 0.417804
H -5.152042 -0.472313 0.604210
H -4.330330 3.756467 0.966908
H -5.941201 1.858177 1.059176
H -2.565580 -3.652885 -0.295685
H 4.369348 1.691210 0.874075
H 2.931136 2.983240 -0.878737
H 6.017116 -0.210514 1.996395
H 4.587961 -0.251533 2.802407


%chk=000197351-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197351

0 1
O -1.716566 -3.902316 -0.463955
O 0.093441 1.955105 -0.172579
O -3.515677 -2.259578 0.043197
O 3.639268 2.680550 -0.654045
O 4.568891 -1.538857 0.135532
N 1.974031 0.301284 -0.747608
N 4.648243 0.638057 0.979480
N 5.399809 0.314551 2.144270
C -0.302077 -0.431973 -0.359316
C 1.076422 -0.735506 -0.658466
C -1.256463 -1.509930 -0.292949
C 3.387136 0.225725 -1.120281
C -2.171060 1.194041 0.159770
C -0.735980 0.944012 -0.132592
C -3.112599 0.120287 0.222286
C -2.666009 -1.265131 -0.006651
C -0.836691 -2.858430 -0.515126
C 1.474291 -2.110491 -0.849602
C 0.541232 -3.138028 -0.786058
C 3.822380 1.611051 -1.657159
C -2.616845 2.521576 0.385616
C -4.476464 0.388533 0.506672
C 4.267813 -0.307090 0.051798
C -3.971885 2.778950 0.666720
C -4.905386 1.710052 0.727423
H 3.532425 -0.511303 -1.934196
H 1.535445 1.222348 -0.495496
H 2.533323 -2.344386 -0.997756
H 0.836993 -4.182061 -0.922866
H 4.900690 1.605100 -1.883399
H 3.257179 1.845425 -2.579285
H -1.878844 3.327571 0.335735
H -5.171144 -0.455867 0.547965
H -4.308322 3.806738 0.840242
H -5.958360 1.915657 0.946995
H -2.659780 -3.478686 -0.244048
H 4.379277 1.623415 0.845548
H 2.715650 3.037759 -0.681693
H 6.323679 -0.060108 1.884831
H 4.887037 -0.368244 2.720846


