%chk=000245978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245978

0 1
Cl 5.154875 -3.786409 -0.197865
O 4.964572 3.139137 -0.584852
O 6.205268 -1.317282 0.765100
N 4.605792 0.153530 0.102738
C -1.712935 0.387452 -0.477745
C -2.953612 -0.033276 0.321605
C -0.419542 0.021960 0.262983
C -4.247567 0.332353 -0.418153
C 0.821073 0.441802 -0.536999
C -5.488208 -0.088612 0.381150
C 2.111824 0.077357 0.205071
C -6.782512 0.276960 -0.358065
C 3.348605 0.490157 -0.609782
C -8.022771 -0.144524 0.441135
C -9.318476 0.220250 -0.297161
C 5.284944 1.264557 0.815573
C 5.162233 -1.127807 0.164912
C -10.556206 -0.197348 0.493868
C 5.991861 2.214975 -0.160267
C 4.397941 -2.227750 -0.552972
H -1.742090 1.477492 -0.670115
H -1.726823 -0.094876 -1.474148
H -2.941329 0.449149 1.318110
H -2.926150 -1.123135 0.514618
H -0.393363 -1.067505 0.458438
H -0.407479 0.506298 1.258909
H -4.261046 -0.149837 -1.414611
H -4.276400 1.422250 -0.610477
H 0.804773 -0.039571 -1.533933
H 0.791399 1.533074 -0.727944
H -5.475618 0.393392 1.377758
H -5.460332 -1.178495 0.573701
H 2.133737 0.571528 1.196809
H 2.137304 -1.011122 0.417551
H -6.811228 1.366888 -0.549980
H -6.795620 -0.204869 -1.354685
H 3.342981 0.008835 -1.611288
H 3.336372 1.594637 -0.801914
H -8.011579 0.336605 1.437968
H -7.995766 -1.234161 0.634145
H -9.348123 1.310742 -0.488756
H -9.332102 -0.262218 -1.294056
H 4.533678 1.837571 1.408708
H 6.029302 0.838190 1.534068
H -10.577662 -1.279050 0.668547
H -10.593704 0.292881 1.473312
H -11.475519 0.066845 -0.040528
H 6.795987 2.781648 0.341687
H 6.395539 1.694420 -1.046422
H 3.336040 -2.267881 -0.222408
H 4.410601 -2.073102 -1.650919
H 5.342859 3.814196 -1.178524


%chk=000245978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245978

0 1
Cl 5.669278 -3.728599 -0.588586
O 5.346302 2.902169 -0.882737
O 6.511948 -1.109616 0.637187
N 4.657190 0.181935 0.087692
C -1.765562 0.335377 -0.476573
C -3.030494 0.006486 0.347801
C -0.450384 0.048952 0.282328
C -4.346374 0.290835 -0.410815
C 0.813980 0.372174 -0.545271
C -5.611856 -0.041354 0.411539
C 2.126259 0.081646 0.216979
C -6.927690 0.241376 -0.348084
C 3.378333 0.411097 -0.630214
C -8.193950 -0.091789 0.472746
C -9.509424 0.189987 -0.288793
C 5.190948 1.288353 0.912035
C 5.408098 -0.985820 0.027556
C -10.769519 -0.143704 0.538914
C 6.148196 2.203797 0.141385
C 4.810106 -2.099837 -0.857605
H -1.790925 1.404162 -0.776059
H -1.780189 -0.251634 -1.418810
H -3.017128 0.593411 1.290071
H -3.004829 -1.062214 0.647613
H -0.427560 -1.018709 0.585297
H -0.433665 0.638824 1.222376
H -4.358920 -0.294670 -1.354070
H -4.373654 1.360031 -0.709026
H 0.794275 -0.216714 -1.486592
H 0.792111 1.440332 -0.846374
H -5.600534 0.544489 1.354581
H -5.584427 -1.110344 0.710372
H 2.152019 0.677761 1.151283
H 2.150941 -0.983024 0.526701
H -6.955709 1.310577 -0.646454
H -6.938619 -0.344105 -1.291442
H 3.365555 -0.178064 -1.565873
H 3.366546 1.472486 -0.934568
H -8.185714 0.494211 1.415815
H -8.167457 -1.160764 0.771952
H -9.534445 1.257733 -0.588699
H -9.517545 -0.396888 -1.230087
H 4.343547 1.886930 1.291943
H 5.737604 0.852015 1.765700
H -10.783931 -1.212495 0.825158
H -10.800483 0.452258 1.470720
H -11.695394 0.066775 -0.027610
H 6.599896 2.932054 0.848300
H 6.953114 1.596577 -0.317144
H 3.746007 -2.276346 -0.641876
H 4.939260 -1.861570 -1.926123
H 5.940664 3.441753 -1.460664


