%chk=000191038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191038

0 1
O -1.709810 3.839534 1.460602
O -0.721718 0.261305 -1.610835
O -2.246963 5.053560 -0.342860
O -0.704922 -2.373717 1.136732
O -0.608056 -3.213647 -0.939644
N -0.598072 1.907335 0.029350
N 0.609556 -0.142411 0.217509
N -4.514593 -0.936334 0.615453
N -3.151899 -1.500720 -1.360936
N -3.494585 -3.040941 0.468549
C -1.673524 2.680373 -0.644967
C -3.012910 1.934405 -0.806144
C -3.602747 1.411428 0.503471
C 1.004183 -1.469488 -0.294789
C 2.243849 -2.010950 0.433892
C -4.796126 0.462640 0.267269
C -0.281791 0.640265 -0.529543
C 3.441662 -1.119961 0.246057
C -1.907440 3.989053 0.105852
C -0.167980 -2.453437 -0.106761
C 4.062926 -1.030541 -1.009136
C 3.943839 -0.380125 1.326353
C 5.175185 -0.202787 -1.179623
C 5.058914 0.444635 1.149308
C 5.675113 0.536396 -0.102075
C -3.747143 -1.723434 -0.088012
H -1.289735 2.945460 -1.678845
H -2.843919 1.087819 -1.518681
H -3.740409 2.598825 -1.317402
H -3.925349 2.260758 1.137910
H -2.832046 0.890501 1.106455
H 1.190751 -1.395686 -1.409025
H 2.474041 -3.032081 0.052205
H 2.019090 -2.158507 1.513428
H -0.567051 2.018776 1.049228
H -5.636179 0.753562 0.945576
H -5.191930 0.562259 -0.767842
H 1.002007 0.154431 1.104900
H 3.680913 -1.603984 -1.852057
H 3.476144 -0.449721 2.305915
H 5.654155 -0.133109 -2.155820
H 5.448063 1.016855 1.990491
H 6.541824 1.180541 -0.238271
H -1.853556 4.685491 1.966399
H -1.582485 -2.898773 1.220238
H -2.840885 -0.539987 -1.544587
H -2.431078 -2.160284 -1.660354
H -3.519599 -3.784741 -0.229981
H -4.145816 -3.269139 1.224847


%chk=000191038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191038

0 1
O -1.376323 3.967644 1.509475
O -0.500718 0.507872 -1.774632
O -2.722908 4.917561 -0.127757
O -0.794729 -2.245398 0.997739
O -0.624773 -3.010379 -1.184575
N -0.762141 1.835311 0.128877
N 0.672576 -0.036673 0.179708
N -4.512542 -0.954500 0.666195
N -3.305743 -1.782560 -1.307877
N -3.271028 -2.947119 0.753427
C -1.742523 2.696597 -0.541040
C -3.093725 1.962946 -0.843096
C -3.850996 1.468408 0.409718
C 1.028785 -1.367559 -0.334642
C 2.249675 -1.956170 0.421827
C -4.906890 0.354544 0.096207
C -0.209935 0.757813 -0.558030
C 3.519818 -1.133467 0.252724
C -2.007915 3.968681 0.251534
C -0.192821 -2.306819 -0.222800
C 4.114545 -0.976777 -1.026146
C 4.139938 -0.516371 1.367315
C 5.294943 -0.219757 -1.186577
C 5.322600 0.243526 1.212074
C 5.903832 0.395223 -0.066905
C -3.765319 -1.793204 0.002174
H -1.336887 3.010309 -1.524243
H -2.813537 1.116533 -1.493875
H -3.727243 2.648862 -1.436112
H -4.348895 2.325909 0.902624
H -3.135028 1.049605 1.141411
H 1.246524 -1.272447 -1.410727
H 2.405264 -2.982584 0.036447
H 1.991055 -2.055502 1.493488
H -0.482232 2.082785 1.079055
H -5.870505 0.620384 0.564237
H -5.094024 0.321435 -1.003687
H 0.708767 0.075412 1.195450
H 3.652669 -1.451031 -1.901403
H 3.698687 -0.636313 2.365133
H 5.740889 -0.109683 -2.181554
H 5.789021 0.712745 2.085893
H 6.820457 0.982674 -0.190834
H -1.590603 4.811311 1.990915
H -1.810354 -2.648368 0.976385
H -3.497441 -0.969745 -1.889446
H -2.485856 -2.349247 -1.565778
H -3.329595 -3.833631 0.231128
H -3.774918 -2.987084 1.650376


