%chk=000197677.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197677

0 1
Cl -5.472799 -0.642257 -0.726430
O -2.917453 -0.605068 -2.012841
O -0.650198 -1.765030 1.640064
O 2.197013 -0.923395 -1.648598
N -0.439992 -0.864584 -0.448017
N 2.374183 -1.955088 0.371322
C -1.479154 0.160318 -0.222853
C -1.124150 1.490673 -0.911129
C -2.799297 -0.376699 -0.839590
C 0.048974 2.167679 -0.257960
C 1.100875 -2.691030 0.194069
C -0.069264 -1.738751 0.565736
C -3.927685 -0.575263 0.174642
C -0.143376 2.956460 0.887162
C 1.336683 2.026699 -0.795802
C 1.060744 -3.926587 1.083629
C -3.741352 -1.864481 0.944369
C 0.942280 3.606187 1.479762
C 2.416612 2.688036 -0.204589
C 2.223260 3.477970 0.932802
C 2.845707 -1.092491 -0.624224
C 4.155754 -0.426314 -0.333990
H -1.597220 0.320246 0.886407
H -0.928774 1.316880 -1.994164
H -2.008897 2.163125 -0.897496
H 0.108036 -0.790225 -1.318531
H 1.008056 -2.993157 -0.889184
H -4.001187 0.301297 0.862800
H 1.940596 -4.564792 0.940700
H 0.172426 -4.536378 0.864426
H 0.990740 -3.663157 2.150747
H -1.137562 3.066398 1.314997
H 1.501606 1.395849 -1.673057
H 2.834183 -2.044388 1.271871
H -4.547168 -2.015770 1.675249
H -2.785785 -1.875201 1.504022
H -3.742066 -2.743116 0.283820
H 0.788834 4.217408 2.367850
H 3.409964 2.594686 -0.639874
H 3.064377 3.995118 1.389014
H 4.536420 0.068301 -1.244066
H 4.049661 0.356281 0.433328
H 4.933895 -1.124488 0.000605


%chk=000197677-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197677

0 1
Cl -4.168805 0.976620 1.206144
O -2.811408 -1.215586 -1.400929
O -0.885296 -2.435039 1.222357
O 2.519014 -0.744702 -1.397253
N -0.100513 -0.832981 -0.255673
N 2.519003 -2.126486 0.461994
C -1.251516 0.050931 0.001823
C -1.164865 1.322901 -0.893313
C -2.567676 -0.722896 -0.272019
C -0.053335 2.267952 -0.456283
C 1.283913 -2.849238 0.068560
C 0.006925 -2.025153 0.407348
C -3.562391 -0.841900 0.889334
C -0.252925 3.120081 0.662397
C 1.194959 2.307721 -1.127683
C 1.243728 -4.233445 0.728759
C -4.760721 -1.734325 0.623389
C 0.768991 3.990254 1.100650
C 2.220747 3.177688 -0.690195
C 2.012104 4.021782 0.424450
C 3.082642 -1.139147 -0.318535
C 4.386962 -0.534269 0.173879
H -1.249085 0.353557 1.066848
H -1.035881 0.999681 -1.942655
H -2.139660 1.837665 -0.826925
H 0.647782 -0.565690 -0.918574
H 1.321155 -2.944511 -1.034304
H -3.024951 -1.086032 1.817088
H 2.131604 -4.823515 0.441534
H 0.338290 -4.774565 0.411517
H 1.194164 -4.147501 1.828779
H -1.218920 3.105290 1.183219
H 1.374132 1.654766 -1.989914
H 2.953024 -2.381684 1.351410
H -5.473761 -1.694316 1.462866
H -4.406344 -2.775874 0.508839
H -5.270963 -1.447797 -0.309908
H 0.595817 4.646957 1.960875
H 3.176851 3.199558 -1.225849
H 2.804045 4.701891 0.758422
H 5.143714 -0.611257 -0.625282
H 4.228112 0.540106 0.373819
H 4.778840 -1.015592 1.085993


