%chk=000201798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201798

0 1
O 3.223358 1.215927 0.704652
O 3.658096 1.749678 -1.461204
N -0.552483 -0.428672 0.865494
C 2.302362 0.092226 0.399883
C 1.726890 -0.187694 1.801179
C 1.216768 0.614305 -0.548558
C 0.490601 -1.091745 1.716076
C -0.052288 -0.247269 -0.535634
C 3.148125 -1.064686 -0.104366
C -1.830403 -1.215665 0.886184
C -2.987342 -0.306492 0.438451
C 2.660503 -1.986646 -1.037918
C 4.444223 -1.232932 0.411965
C -4.339872 -1.017348 0.590166
C 3.851503 1.934982 -0.285192
C 3.458146 -3.056504 -1.457406
C 5.240189 -2.299607 -0.008347
C -5.459960 -0.131189 0.115305
C 4.769474 2.926763 0.385073
C 4.748446 -3.214959 -0.945734
C -6.026758 0.815591 0.983058
C -5.940574 -0.239629 -1.198624
C 4.672749 4.288360 -0.288774
C -7.064503 1.639567 0.540587
C -6.979189 0.586925 -1.635901
C -7.544031 1.527053 -0.768560
H 1.454872 0.782863 2.270507
H 2.492655 -0.640264 2.456722
H 1.616267 0.701168 -1.581733
H 0.957705 1.650875 -0.242039
H 0.069624 -1.227929 2.736463
H 0.781378 -2.098646 1.344092
H -0.848098 0.270756 -1.116935
H 0.147735 -1.216904 -1.053064
H -2.017060 -1.556744 1.928554
H -1.790301 -2.130094 0.257087
H -2.976087 0.629309 1.034875
H -2.844288 0.015086 -0.611604
H 1.652127 -1.876656 -1.446497
H 4.827166 -0.518741 1.141930
H -4.502375 -1.304908 1.649102
H -4.334697 -1.971964 0.026501
H 3.071654 -3.764431 -2.188391
H 6.244966 -2.418951 0.392754
H 4.532776 3.003162 1.468797
H 5.807555 2.532587 0.327781
H 5.369679 -4.045130 -1.275557
H -5.655101 0.910576 2.001205
H -5.504192 -0.966379 -1.880036
H 3.685257 4.744608 -0.143746
H 5.420440 4.982417 0.112699
H 4.837808 4.210955 -1.373958
H -7.500627 2.372150 1.217645
H -7.348798 0.498058 -2.656029
H -8.352368 2.168933 -1.110580


%chk=000201798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201798

0 1
O 3.259678 1.385598 0.806690
O 3.860317 1.740503 -1.433762
N -0.604548 -0.361885 0.916055
C 2.281086 0.252324 0.472321
C 1.669901 -0.053653 1.862266
C 1.155837 0.799720 -0.437094
C 0.450254 -0.987601 1.752559
C -0.094487 -0.109782 -0.453860
C 3.102663 -0.922481 -0.086064
C -1.870645 -1.134736 0.932244
C -3.086112 -0.321214 0.440972
C 2.898330 -1.461331 -1.379700
C 4.133141 -1.479676 0.717812
C -4.415396 -1.109620 0.604871
C 3.998266 1.990503 -0.215172
C 3.682241 -2.538928 -1.848562
C 4.923556 -2.550843 0.251263
C -5.625207 -0.304633 0.152306
C 4.996840 2.972851 0.385388
C 4.695588 -3.092570 -1.035074
C -6.247322 0.620671 1.030663
C -6.134308 -0.427510 -1.166307
C 5.506738 4.004402 -0.638318
C -7.344474 1.402518 0.605195
C -7.231269 0.352750 -1.598161
C -7.840602 1.271923 -0.713129
H 1.344614 0.903914 2.306726
H 2.426909 -0.499235 2.530306
H 1.520399 0.968362 -1.463145
H 0.858223 1.781718 -0.024993
H 0.036970 -1.161319 2.763318
H 0.769085 -1.982948 1.347415
H -0.879504 0.397076 -1.041946
H 0.135011 -1.075375 -0.974409
H -2.057676 -1.440905 1.980944
H -1.788562 -2.080598 0.332753
H -3.135515 0.622472 1.016249
H -2.970871 -0.040669 -0.623524
H 2.145198 -1.027868 -2.043447
H 4.333768 -1.057198 1.708787
H -4.527760 -1.394361 1.670255
H -4.348831 -2.052272 0.026229
H 3.508625 -2.937552 -2.854460
H 5.716727 -2.960506 0.887006
H 4.531838 3.456286 1.263055
H 5.841668 2.372616 0.780300
H 5.305351 -3.926372 -1.400699
H -5.870440 0.724329 2.056263
H -5.669695 -1.142826 -1.856897
H 4.689835 4.664450 -0.979127
H 6.296403 4.633401 -0.190793
H 5.917701 3.498685 -1.528193
H -7.814270 2.108802 1.299479
H -7.612483 0.241201 -2.619832
H -8.693083 1.875492 -1.044626


