%chk=000190522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190522

0 1
S -0.938642 -2.743291 -0.291952
F -3.215314 -3.422127 0.683762
F -3.131197 -3.436148 -1.421091
N 2.479548 0.900244 0.108043
N -2.025459 2.226959 -0.039571
N 0.232410 1.590244 0.071736
N 0.812592 -0.800860 -0.088027
N -1.524181 -0.118417 -0.130435
C 4.928292 0.549899 0.116441
C 3.554736 -0.128164 0.078775
C 6.047233 -0.501346 0.084641
C -3.501209 1.980256 -0.022787
C -4.187166 3.186372 -0.669102
C -3.978748 1.755832 1.414476
C 7.427128 0.149421 0.120189
C 1.157975 0.555978 0.028083
C -1.100188 1.213416 -0.023289
C -0.518824 -1.032477 -0.157629
C -2.771455 -2.690618 -0.357418
H 5.043033 1.241765 -0.741920
H 5.029446 1.173495 1.027016
H 3.438140 -0.754645 -0.838437
H 3.421361 -0.821544 0.943441
H 5.938863 -1.195355 0.942260
H 5.952398 -1.127271 -0.825447
H -3.706983 1.057209 -0.633124
H 2.731711 1.882398 0.194698
H -1.694791 3.180209 0.114871
H -5.268593 3.017255 -0.748227
H -4.050529 4.109345 -0.094091
H -3.814363 3.369437 -1.685357
H -3.490735 0.876361 1.858640
H -5.059459 1.578177 1.448898
H -3.765906 2.609884 2.066229
H 7.572897 0.745095 1.028767
H 8.220479 -0.607365 0.096413
H 7.585793 0.813874 -0.737144
H -3.255193 -1.686694 -0.382831


%chk=000190522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190522

0 1
S -0.964642 -2.833098 -0.225294
F -3.413668 -3.395589 0.819984
F -3.359079 -3.252592 -1.450880
N 2.463249 0.834603 0.070082
N -2.008569 2.188932 -0.028110
N 0.239366 1.558938 0.029600
N 0.799122 -0.822431 -0.066840
N -1.525266 -0.123229 -0.102046
C 4.920515 0.538072 0.096657
C 3.549403 -0.162721 0.061454
C 6.090505 -0.471243 0.091550
C -3.475907 1.989104 -0.060192
C -4.135099 3.259973 -0.631938
C -4.024415 1.628611 1.341034
C 7.470944 0.217926 0.128319
C 1.137972 0.520969 0.009891
C -1.079258 1.188299 -0.030428
C -0.531756 -1.042090 -0.119908
C -2.830563 -2.669627 -0.261093
H 5.014973 1.212981 -0.779142
H 4.990278 1.173486 1.004080
H 3.458453 -0.795152 -0.841942
H 3.436981 -0.839041 0.930746
H 5.991316 -1.150216 0.962288
H 6.018165 -1.109683 -0.811819
H -3.667529 1.138720 -0.740284
H 2.687274 1.829470 0.129108
H -1.633045 3.136765 0.047093
H -5.228826 3.125734 -0.691046
H -3.941575 4.135146 0.018616
H -3.759174 3.485073 -1.645876
H -3.526854 0.723782 1.729825
H -5.111106 1.432481 1.289777
H -3.854996 2.456821 2.053701
H 7.582587 0.837705 1.037892
H 8.289563 -0.524330 0.123847
H 7.609801 0.878464 -0.748190
H -3.104038 -1.604213 -0.201018


