%chk=000239790.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239790

0 1
S 4.619024 1.911761 -0.238499
N -5.533752 -0.629442 0.070619
N 3.245383 -0.340271 0.053478
N 1.909469 1.710950 -0.218993
N 0.688167 1.077339 -0.138862
C -6.779229 0.161150 -0.093295
C -5.707564 -2.085270 0.304205
C -4.271722 -0.041690 -0.005177
C -4.132548 1.361500 -0.191737
C -3.094088 -0.830222 0.104608
C -7.264109 0.731826 1.240198
C -5.701903 -2.873150 -1.006272
C -1.706904 1.153304 -0.154681
C -2.871725 1.936041 -0.264828
C -1.842469 -0.237212 0.031777
C -0.394948 1.804829 -0.236896
C 5.524238 0.429852 -0.041827
C 4.625604 -0.666748 0.099779
C 3.061181 0.949610 -0.116185
C 6.900396 0.251566 -0.014980
C 5.130319 -1.964138 0.271261
C 7.390412 -1.046799 0.156587
C 6.514003 -2.136564 0.297360
H -6.606389 0.986210 -0.823650
H -7.563770 -0.488782 -0.542488
H -4.897873 -2.454565 0.977197
H -6.663018 -2.251415 0.850874
H -5.011571 1.993595 -0.277105
H -3.163169 -1.905642 0.245905
H -7.500745 -0.059619 1.960656
H -6.498948 1.365415 1.708535
H -8.164283 1.340975 1.106406
H -6.523516 -2.574620 -1.666996
H -4.770932 -2.713429 -1.567359
H -5.796028 -3.948701 -0.821608
H -2.788640 3.013874 -0.408980
H -0.942950 -0.856524 0.118596
H -0.421335 2.896377 -0.380194
H 7.581250 1.093773 -0.123756
H 4.444445 -2.803390 0.379659
H 1.995721 2.724521 -0.351614
H 8.465082 -1.217477 0.181683
H 6.926235 -3.137299 0.429697


%chk=000239790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239790

0 1
S 4.688080 2.038520 -0.194276
N -5.627573 -0.625102 0.060458
N 3.358149 -0.331848 0.036487
N 1.938051 1.622498 -0.157816
N 0.733757 0.933007 -0.089822
C -6.836525 0.197308 -0.146818
C -5.843144 -2.063705 0.319033
C -4.345369 -0.069787 0.008959
C -4.144534 1.343180 -0.129505
C -3.168971 -0.892929 0.090984
C -7.362710 0.861917 1.147476
C -5.799410 -2.936130 -0.958000
C -1.691479 1.068153 -0.103795
C -2.851753 1.886678 -0.187862
C -1.886068 -0.337451 0.039412
C -0.364172 1.667696 -0.164178
C 5.627962 0.487976 -0.038796
C 4.733306 -0.631245 0.069355
C 3.144091 0.956595 -0.090490
C 7.024128 0.327027 -0.018114
C 5.273391 -1.932669 0.200247
C 7.543512 -0.983672 0.113975
C 6.673846 -2.099720 0.221800
H -6.632346 0.965187 -0.915846
H -7.622223 -0.457598 -0.569051
H -5.099480 -2.422661 1.053972
H -6.831021 -2.173452 0.805332
H -4.999762 2.022997 -0.176396
H -3.261794 -1.978857 0.180656
H -7.623287 0.098287 1.902521
H -6.601197 1.527142 1.589907
H -8.268969 1.459782 0.936770
H -6.576673 -2.619061 -1.676690
H -4.820578 -2.854839 -1.461294
H -5.975653 -3.998841 -0.707872
H -2.738242 2.973886 -0.291973
H -1.002522 -0.981605 0.100104
H -0.323205 2.772642 -0.275040
H 7.698603 1.184787 -0.100887
H 4.590383 -2.783112 0.282606
H 1.954005 2.647830 -0.258399
H 8.628539 -1.131725 0.132529
H 7.095658 -3.105587 0.323436


