%chk=000208345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208345

0 1
O -5.160646 -0.142462 0.193409
N 2.638937 -0.647895 -0.516247
C -0.579473 1.390823 0.319594
C 0.818344 1.113926 -0.284932
C 1.252412 -0.347629 -0.054052
C -1.570445 0.277034 -0.027443
C 0.293120 -1.281377 -0.819713
C -1.148941 -0.973182 -0.533466
C -1.079339 2.737555 -0.240628
C -0.477862 1.472489 1.855880
C -2.931369 0.496390 0.201459
C -2.097674 -1.968476 -0.806656
C 3.693258 -0.063156 0.368517
C -3.860489 -0.519922 -0.083640
C -3.462252 -1.760691 -0.589590
C 5.078388 -0.366830 -0.224592
C 6.197068 0.130874 0.699790
C 7.578204 -0.159281 0.116764
C -6.207897 -1.109009 -0.054661
H 1.556000 1.810351 0.151610
H 0.802506 1.332673 -1.369092
H 1.192633 -0.584604 1.040570
H 0.532806 -2.333589 -0.558432
H 0.469245 -1.205556 -1.913370
H -2.006210 3.061256 0.246170
H -0.341939 3.531867 -0.089879
H -1.286130 2.669953 -1.314451
H -0.114841 0.529707 2.281165
H 0.204949 2.266822 2.170903
H -1.452959 1.676187 2.312372
H 2.773292 -0.329979 -1.481199
H -3.295893 1.442119 0.598294
H -1.769325 -2.931824 -1.198237
H 3.597160 -0.540238 1.369521
H 3.574170 1.031221 0.523312
H 5.180136 0.095445 -1.224512
H 5.178353 -1.459082 -0.390042
H -4.174407 -2.546492 -0.809691
H 6.104657 -0.348816 1.694371
H 6.087501 1.218853 0.875989
H 8.372191 0.192593 0.784928
H 7.732571 -1.233546 -0.038379
H 7.720770 0.334130 -0.851318
H -6.065615 -1.993608 0.572518
H -6.245695 -1.364649 -1.117331
H -7.104373 -0.552777 0.247917


%chk=000208345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208345

0 1
O -5.263372 -0.218833 0.242121
N 2.662713 -0.550069 -0.530724
C -0.621957 1.441291 0.346792
C 0.790386 1.167459 -0.252641
C 1.268482 -0.299874 -0.092755
C -1.603780 0.305510 -0.026742
C 0.312070 -1.207335 -0.887655
C -1.156285 -0.935035 -0.579029
C -1.116677 2.810503 -0.202116
C -0.523139 1.535234 1.901216
C -2.984135 0.477884 0.228261
C -2.112752 -1.940337 -0.855575
C 3.738482 0.025127 0.305262
C -3.924246 -0.535425 -0.060633
C -3.491425 -1.765374 -0.611587
C 5.125282 -0.439527 -0.183980
C 6.285911 0.134564 0.659956
C 7.672659 -0.324190 0.159308
C -6.272083 -1.241057 -0.035876
H 1.512142 1.861295 0.221528
H 0.776125 1.402914 -1.338687
H 1.219407 -0.579975 0.978857
H 0.560626 -2.266374 -0.691162
H 0.502628 -1.040504 -1.971339
H -2.063338 3.128942 0.269355
H -0.361948 3.593256 0.003991
H -1.278284 2.763910 -1.294446
H -0.136320 0.598935 2.341976
H 0.152326 2.362203 2.192700
H -1.515390 1.727323 2.347734
H 2.788378 -0.312254 -1.526362
H -3.366477 1.408625 0.659740
H -1.766727 -2.894046 -1.273955
H 3.580422 -0.326592 1.344971
H 3.729952 1.144063 0.344363
H 5.262067 -0.134418 -1.243806
H 5.153166 -1.546357 -0.169124
H -4.193834 -2.572092 -0.841302
H 6.153938 -0.172276 1.717661
H 6.236168 1.242819 0.648690
H 8.486279 0.093088 0.780695
H 7.757742 -1.426834 0.185232
H 7.843835 0.000080 -0.884653
H -6.087773 -2.162424 0.551313
H -6.307275 -1.493360 -1.114209
H -7.229070 -0.792865 0.270139


