%chk=000130604.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000130604

0 1
Cl 2.370203 -3.142667 0.558598
N -2.930512 -2.485516 -0.042713
N -3.410470 2.064741 -1.084934
N -4.753033 3.990276 0.619999
N -3.139173 -0.210764 -0.441044
N -1.216852 1.322909 -0.543725
N -0.006720 -2.115635 0.155337
N 0.980689 0.541785 -0.200465
N 3.166024 -0.246423 0.143183
C -2.257944 -3.788573 0.224970
C -4.416283 -2.626246 -0.129942
C -3.378706 -4.841586 0.216172
C -4.715955 -4.079472 0.267990
C -2.308384 -1.283725 -0.195113
C -2.929684 3.475555 -0.989621
C -4.874165 1.965951 -0.814345
C -3.278748 4.090395 0.380599
C -5.226106 2.571650 0.560742
C -2.567887 1.036796 -0.644566
C -0.868308 -1.085289 -0.103806
C -0.377947 0.277424 -0.290241
C 1.822006 -0.496241 0.055343
C 1.282274 -1.848949 0.233385
C 3.700672 1.129984 -0.045899
C 5.203290 1.094623 0.048368
C 5.834236 1.268651 1.288680
C 5.974948 0.887074 -1.104119
C 7.229050 1.241077 1.372478
C 7.369448 0.860308 -1.015214
C 7.997724 1.037455 0.221819
H -1.728208 -3.746230 1.202885
H -1.488302 -3.991423 -0.553326
H -4.748928 -2.392363 -1.165185
H -4.908841 -1.890324 0.542255
H -3.279752 -5.533198 1.070176
H -3.320713 -5.462661 -0.696123
H -5.460094 -4.532886 -0.408664
H -5.148782 -4.124532 1.283767
H -3.427058 4.042821 -1.808978
H -1.829647 3.525497 -1.169561
H -5.212818 0.907989 -0.874223
H -5.392265 2.527095 -1.626218
H -2.668374 3.602612 1.172150
H -3.011492 5.169619 0.380328
H -6.330031 2.580811 0.690147
H -4.805347 1.932823 1.367474
H -4.969869 4.378032 1.545361
H 3.831116 -0.992301 0.325945
H 3.249702 1.811643 0.717665
H 3.353387 1.533861 -1.030242
H 5.238439 1.427301 2.186872
H 5.488480 0.748427 -2.069219
H 7.717407 1.379284 2.336067
H 7.967136 0.701856 -1.911807
H 9.084266 1.017676 0.288836


%chk=000130604-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130604

0 1
Cl 2.538399 -3.270167 0.513793
N -2.886889 -2.552714 0.015671
N -3.399721 2.053415 -0.578338
N -5.052922 4.217656 0.213000
N -3.101235 -0.256512 -0.271328
N -1.190055 1.288630 -0.391607
N 0.062223 -2.155735 0.175138
N 1.012224 0.489288 -0.171730
N 3.217744 -0.288737 0.068252
C -2.231622 -3.888394 0.100263
C -4.373156 -2.658604 0.020196
C -3.396045 -4.873689 -0.153331
C -4.631408 -4.130198 0.413024
C -2.277850 -1.331332 -0.100333
C -2.920074 3.439717 -0.751413
C -4.865700 1.895309 -0.592404
C -3.580329 4.356837 0.300095
C -5.500333 2.828715 0.462534
C -2.529551 0.994121 -0.403733
C -0.835304 -1.132719 -0.043074
C -0.347995 0.230601 -0.206745
C 1.871242 -0.540413 0.033299
C 1.341220 -1.878909 0.213194
C 3.760539 1.075325 -0.111775
C 5.275920 1.061560 0.006105
C 5.903129 1.250716 1.264107
C 6.086856 0.840262 -1.136347
C 7.311327 1.218462 1.379641
C 7.495383 0.807033 -1.024969
C 8.110958 0.995600 0.234415
H -1.777606 -4.032281 1.098877
H -1.417362 -3.974416 -0.635397
H -4.771399 -2.415787 -0.984597
H -4.803061 -1.926399 0.724364
H -3.218654 -5.850428 0.327377
H -3.519481 -5.042885 -1.239077
H -5.585496 -4.505645 0.006312
H -4.664127 -4.229766 1.513651
H -3.202961 3.793289 -1.763517
H -1.824118 3.433146 -0.654999
H -5.100165 0.839455 -0.392510
H -5.250901 2.175876 -1.593875
H -3.178401 4.082584 1.306767
H -3.303447 5.406293 0.091682
H -6.601454 2.781870 0.376210
H -5.211867 2.455761 1.477034
H -5.553246 4.906513 0.788026
H 3.858112 -1.068523 0.229677
H 3.302826 1.741843 0.643554
H 3.436106 1.461140 -1.097031
H 5.284950 1.428163 2.152662
H 5.611790 0.699408 -2.114928
H 7.782974 1.370107 2.356955
H 8.110087 0.639147 -1.916313
H 9.203026 0.973406 0.321794


