%chk=000245002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245002

0 1
Cl -5.067111 -0.187248 -0.449065
S 3.790900 -0.540923 -0.521709
N -1.154293 0.565900 0.074337
N 0.896063 1.365174 -0.590797
N -0.464455 -1.767655 0.675339
N 1.929844 -2.131215 0.341078
C -0.248931 -0.489489 0.230466
C -2.601444 0.513244 0.340000
C 1.040593 0.028896 -0.184693
C -0.400508 1.665103 -0.440593
C -3.310914 -0.307719 -0.740937
C 2.129980 -0.869029 -0.101722
C 0.659493 -2.526416 0.706563
C 3.822913 1.168324 -1.070063
H -3.008542 1.550086 0.390057
H -2.772534 0.047256 1.344985
H -0.860444 2.619924 -0.661448
H -3.102645 0.061866 -1.762653
H -3.021221 -1.379645 -0.694579
H 0.559455 -3.567895 1.057246
H 3.491391 1.868403 -0.289437
H 3.181545 1.342802 -1.946128
H 4.859065 1.410856 -1.340645


%chk=000245002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245002

0 1
Cl -5.164426 -0.319200 -0.336293
S 3.854184 -0.573823 -0.509930
N -1.151120 0.572225 0.042401
N 0.899584 1.391013 -0.596123
N -0.515882 -1.734138 0.648669
N 1.878227 -2.143856 0.346267
C -0.244405 -0.479053 0.205509
C -2.594721 0.508027 0.329409
C 1.032872 0.042420 -0.193070
C -0.406410 1.659814 -0.441774
C -3.323052 -0.341761 -0.726023
C 2.119607 -0.872738 -0.100309
C 0.609726 -2.510642 0.691670
C 3.904169 1.225511 -1.075623
H -2.996307 1.535403 0.342792
H -2.741530 0.060903 1.327295
H -0.870115 2.621189 -0.655378
H -3.218522 0.068121 -1.741112
H -3.009590 -1.394020 -0.684959
H 0.482731 -3.539031 1.040217
H 3.572155 1.891270 -0.269000
H 3.267991 1.369621 -1.957987
H 4.963035 1.403346 -1.321046


