%chk=000197970.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197970

0 1
O -3.009954 2.295221 1.323631
N -5.791265 -0.608629 0.047737
C -7.220276 -0.150794 0.009118
C -5.668872 -1.929336 0.749889
C -8.080804 -1.187023 -0.733301
C -6.504714 -2.991601 0.016438
C -7.975936 -2.567674 -0.073891
C -4.920385 0.424753 0.696438
C -3.508382 0.311287 0.095837
C 5.255666 0.546378 -0.708569
C 6.080224 -0.457907 0.108050
C 3.779769 0.524822 -0.291980
C 7.557590 -0.438866 -0.306900
C -2.608290 1.425244 0.575224
C 2.951661 1.530432 -1.108323
C 8.381873 -1.442786 0.509975
C -1.188624 1.414556 0.108318
C 1.508999 1.495142 -0.686316
C 9.860091 -1.425651 0.095787
C -0.730453 0.584788 -0.925021
C -0.285544 2.289141 0.737438
C 0.607223 0.623530 -1.319405
C 1.052538 2.327786 0.347855
C 10.685250 -2.422964 0.905997
H -7.639498 0.033288 1.021521
H -7.251029 0.815848 -0.539605
H -4.597657 -2.224027 0.735285
H -5.976682 -1.877375 1.816736
H -9.131757 -0.847536 -0.758502
H -7.745388 -1.252610 -1.787932
H -6.097488 -3.138340 -1.004001
H -6.411594 -3.962405 0.535060
H -8.428879 -2.544011 0.935102
H -8.552685 -3.311813 -0.653144
H -5.316351 1.444965 0.490107
H -4.870876 0.339201 1.803088
H -3.063107 -0.674085 0.339898
H -3.586904 0.326677 -1.013935
H 5.347563 0.318142 -1.788080
H 5.670116 1.565068 -0.579943
H 5.667131 -1.477223 -0.019462
H 5.990245 -0.229919 1.187865
H 3.362723 -0.493322 -0.420434
H 3.685704 0.754028 0.787848
H 7.971652 0.579902 -0.178805
H 7.648712 -0.667567 -1.386272
H 3.046775 1.308555 -2.190962
H 3.367893 2.551418 -0.985009
H 7.969444 -2.462248 0.383790
H 8.292925 -1.215249 1.589664
H 9.951208 -1.655604 -0.983848
H 10.275030 -0.406689 0.223781
H -1.414676 -0.094724 -1.434250
H -0.650070 2.942661 1.536785
H 0.953351 -0.025530 -2.121614
H 1.742737 3.005922 0.846598
H 10.647841 -2.200867 1.978553
H 11.738298 -2.403556 0.603793
H 10.324405 -3.449024 0.771700


%chk=000197970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197970

0 1
O -3.061137 2.341260 1.327003
N -5.939230 -0.546314 0.060653
C -7.348496 -0.194754 0.381649
C -5.656579 -1.965610 0.400564
C -8.337775 -1.092261 -0.388602
C -6.591292 -2.923099 -0.366550
C -8.072517 -2.584889 -0.086119
C -4.985796 0.397113 0.698867
C -3.587543 0.324228 0.060721
C 5.316405 0.517410 -0.732126
C 6.173033 -0.424879 0.143592
C 3.830814 0.549033 -0.311036
C 7.658087 -0.473477 -0.281718
C -2.649833 1.434402 0.541059
C 2.971137 1.492520 -1.201240
C 8.513485 -1.418369 0.592295
C -1.226573 1.428894 0.059736
C 1.508209 1.497043 -0.792087
C 9.997859 -1.472530 0.164070
C -0.731418 0.472475 -0.868060
C -0.336681 2.423623 0.549135
C 0.613693 0.510714 -1.285564
C 1.005954 2.454415 0.130721
C 10.844732 -2.418481 1.042823
H -7.548186 -0.292292 1.482837
H -7.508095 0.866011 0.112143
H -4.605471 -2.193264 0.145919
H -5.774522 -2.140856 1.504597
H -9.374364 -0.815241 -0.115529
H -8.214540 -0.906957 -1.473345
H -6.388390 -2.824566 -1.450660
H -6.366351 -3.967492 -0.075462
H -8.300729 -2.789747 0.980675
H -8.740090 -3.229172 -0.689207
H -5.373375 1.423350 0.569611
H -4.903234 0.231959 1.802347
H -3.105049 -0.652943 0.258882
H -3.699516 0.390678 -1.041048
H 5.390672 0.200027 -1.793603
H 5.735052 1.544625 -0.685406
H 5.747446 -1.449434 0.103342
H 6.105374 -0.102893 1.203722
H 3.408768 -0.475280 -0.357197
H 3.747211 0.872385 0.746097
H 8.085493 0.550427 -0.240655
H 7.725264 -0.795221 -1.342278
H 3.071089 1.167480 -2.255711
H 3.388229 2.516503 -1.138355
H 8.085163 -2.442081 0.554397
H 8.450896 -1.095637 1.652781
H 10.059560 -1.795751 -0.895318
H 10.425051 -0.449469 0.201427
H -1.394349 -0.299218 -1.273678
H -0.731139 3.160865 1.256714
H 0.979214 -0.230512 -2.006955
H 1.678958 3.229447 0.517657
H 10.823366 -2.100066 2.102298
H 11.901156 -2.438336 0.717291
H 10.457399 -3.453999 0.997286


