%chk=000231612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231612

0 1
O -2.378974 -0.432656 0.248822
O -0.964448 1.241479 -0.532716
O -0.008289 -2.721451 -0.655346
O 3.000261 1.412029 -0.189402
O 0.108846 -2.796198 1.607736
O 1.765698 1.244171 1.732659
N 1.394211 -0.214697 -0.062038
C 0.074236 -0.621661 0.469065
C -1.143840 -0.162070 -0.383330
C 0.072690 -2.151389 0.592385
C 1.605020 -0.360214 -1.523779
C 1.995961 0.883338 0.596548
C -2.646510 0.226666 1.524300
C -1.931167 1.892311 -1.412172
C -4.157585 0.345978 1.577650
C -1.666768 3.371149 -1.208952
C -0.004090 -4.184718 -0.742968
C 3.828766 2.451450 0.430515
C 1.402909 -4.705455 -0.545039
C 3.069802 3.760135 0.475693
H -0.029358 -0.202625 1.520585
H -1.244196 -0.693526 -1.354389
H 1.056423 0.395164 -2.110245
H 2.684062 -0.250876 -1.742652
H 1.288186 -1.372482 -1.839504
H -2.136264 1.206531 1.546188
H -2.245984 -0.439322 2.309000
H -2.947802 1.588442 -1.103880
H -1.727876 1.556867 -2.443137
H -4.534901 1.057202 0.833270
H -4.495685 0.674314 2.567015
H -4.633661 -0.621448 1.361394
H -0.622676 3.622957 -1.441113
H -1.829832 3.662766 -0.162055
H -2.316505 3.985808 -1.840912
H -0.387939 -4.330627 -1.768680
H -0.715361 -4.579740 0.004468
H 4.684713 2.462641 -0.268959
H 4.139052 2.103270 1.431951
H 1.465646 -5.781696 -0.743815
H 2.120549 -4.198585 -1.202458
H 1.744944 -4.541309 0.489287
H 3.708981 4.585147 0.809747
H 2.659790 4.024683 -0.506815
H 2.219164 3.696445 1.173977


%chk=000231612-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231612

0 1
O -2.499025 -0.454569 0.058591
O -1.245704 1.518349 -0.592478
O 0.115090 -2.582824 -0.632241
O 3.223580 1.283693 -0.238297
O -0.225150 -2.391135 1.667654
O 1.952911 1.026487 1.723228
N 1.243089 0.107572 -0.325458
C -0.017322 -0.341149 0.290960
C -1.272522 0.071608 -0.526493
C -0.052589 -1.860210 0.549734
C 1.448579 -0.026330 -1.780440
C 2.111064 0.822187 0.488121
C -2.784050 -0.024522 1.458899
C -2.231507 2.080177 -1.546378
C -4.265935 -0.299205 1.706745
C -2.100105 3.600410 -1.489568
C 0.106338 -4.076732 -0.509427
C 4.209640 2.074010 0.553485
C 1.502704 -4.599560 -0.164206
C 3.789494 3.543687 0.643140
H -0.067797 0.136457 1.284130
H -1.272483 -0.380135 -1.538606
H 0.916878 0.773884 -2.330967
H 2.521801 0.053573 -1.999830
H 1.081460 -1.011961 -2.107408
H -2.544032 1.051425 1.561291
H -2.150322 -0.609016 2.153206
H -3.247566 1.743697 -1.261316
H -2.009833 1.691515 -2.564198
H -4.896731 0.290130 1.018370
H -4.534022 -0.031979 2.745521
H -4.492371 -1.368670 1.554294
H -1.076280 3.913700 -1.757380
H -2.317948 3.970196 -0.472854
H -2.808599 4.073286 -2.193995
H -0.233275 -4.414097 -1.501709
H -0.632341 -4.355123 0.262128
H 5.150082 1.945478 -0.007083
H 4.298520 1.623218 1.557362
H 1.493839 -5.705435 -0.156695
H 2.245990 -4.265424 -0.908629
H 1.815668 -4.251636 0.834324
H 4.574817 4.127137 1.159555
H 3.643784 3.973982 -0.363025
H 2.852379 3.642053 1.215841


