%chk=000184902.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184902

0 1
Cl 5.991678 4.386729 -0.426844
O -6.825268 -1.021786 -1.270117
O -5.009867 -0.364580 -2.507858
N 0.313333 1.072866 1.198723
N 3.920490 -0.244415 -0.645109
N -1.539124 0.406345 3.196577
N -4.955821 -0.525551 -0.148480
C 1.470729 0.608319 0.534296
C 1.663489 -0.761375 0.188362
C 2.528945 1.538916 0.308388
C 2.908260 -1.133793 -0.425259
C 3.747246 1.049490 -0.276295
C 3.132221 -2.518566 -0.832205
C -1.014148 0.639418 0.815652
C 0.704853 -1.802797 0.444302
C 2.444914 2.941575 0.621756
C -1.931641 0.274769 1.854393
C 2.165045 -3.453318 -0.585181
C 4.849081 1.963446 -0.504246
C 0.944982 -3.092952 0.071223
C -1.418267 0.608010 -0.523681
C 4.414904 -2.872585 -1.505204
C 3.487481 3.791764 0.396254
C -3.236208 -0.113664 1.493227
C 4.697679 3.272329 -0.170164
C -3.613634 -0.128160 0.138519
C -2.709588 0.224859 -0.876151
C -2.313887 -0.275239 4.258035
C -5.511004 -0.601038 -1.433717
C -7.582554 -1.164895 -2.504224
H 0.318248 2.082241 1.416637
H -0.223375 -1.553290 0.956050
H 1.515782 3.325778 1.051145
H 2.302974 -4.493522 -0.878270
H 5.766279 1.560914 -0.940074
H 0.215312 -3.877494 0.264647
H -0.707078 0.878338 -1.309105
H 4.549638 -2.283148 -2.426955
H 5.276142 -2.621012 -0.864252
H 4.485668 -3.933134 -1.767817
H 3.427511 4.853393 0.631905
H -3.949449 -0.390199 2.263601
H -3.007352 0.201468 -1.928920
H -0.528172 0.391825 3.364604
H -5.562025 -0.768290 0.642217
H -3.339502 0.133538 4.302252
H -1.841896 -0.074340 5.235087
H -2.380475 -1.367896 4.122761
H -7.107920 -1.917687 -3.142204
H -7.639230 -0.198445 -3.015858
H -8.560499 -1.494158 -2.135420


%chk=000184902-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184902

0 1
Cl 5.992062 4.544773 -0.107948
O -7.069909 -0.849727 -1.134872
O -5.200289 -0.507692 -2.529007
N 0.310985 0.821943 1.136054
N 4.088095 -0.243634 -0.619667
N -1.551150 0.369463 3.132124
N -5.085442 -0.414634 -0.156116
C 1.510121 0.453280 0.502284
C 1.784617 -0.898402 0.090599
C 2.533982 1.450284 0.335123
C 3.093718 -1.181885 -0.493323
C 3.821368 1.030356 -0.202441
C 3.406688 -2.529515 -0.938263
C -1.024611 0.450220 0.754920
C 0.864300 -1.985490 0.280269
C 2.348261 2.840645 0.652716
C -1.982793 0.261187 1.806876
C 2.459119 -3.537801 -0.754983
C 4.880474 1.999471 -0.323061
C 1.196594 -3.272343 -0.132163
C -1.427527 0.326498 -0.589077
C 4.751789 -2.803886 -1.573033
C 3.381092 3.766797 0.517743
C -3.329554 -0.013052 1.459243
C 4.651248 3.315238 0.041687
C -3.714974 -0.130719 0.098344
C -2.759317 0.024428 -0.938536
C -2.434487 0.152992 4.275901
C -5.706101 -0.577584 -1.382450
C -7.887180 -1.051413 -2.348149
H 0.361368 1.686072 1.686069
H -0.108275 -1.801840 0.741593
H 1.367831 3.214686 0.971417
H 2.690380 -4.557051 -1.086234
H 5.841209 1.653964 -0.711978
H 0.486126 -4.092808 0.016686
H -0.682194 0.473199 -1.377920
H 4.903674 -2.169294 -2.464333
H 5.573151 -2.549068 -0.879770
H 4.841964 -3.864133 -1.865978
H 3.227138 4.824172 0.749516
H -4.075655 -0.158145 2.248214
H -3.062156 -0.070408 -1.982028
H -0.544499 0.266923 3.275219
H -5.704297 -0.515206 0.651162
H -3.267657 0.881367 4.274544
H -1.864014 0.299859 5.207699
H -2.872114 -0.868734 4.296826
H -7.505504 -1.905313 -2.933045
H -7.872256 -0.146298 -2.978701
H -8.900498 -1.252742 -1.972751


