%chk=000200591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200591

0 1
Cl -0.299693 4.915499 2.322380
O 2.466317 0.333195 0.114803
O -5.718419 -2.655691 1.112686
N -0.707195 0.406456 -1.389222
N 0.518776 -0.210548 -1.211634
N 6.768960 -1.786291 0.320739
C -0.850988 1.503582 -0.534200
C 0.398682 1.653198 0.165382
C -1.762445 -0.283196 -2.161881
C 1.202485 0.545673 -0.306813
C 4.511067 -0.791124 0.215581
C 5.527833 -1.681550 -0.516679
C 3.157402 -0.828904 -0.481027
C -2.787632 -0.931895 -1.267802
C -1.919501 2.410458 -0.330612
C 0.589399 2.717038 1.061537
C -1.714804 3.446415 0.556067
C -0.471002 3.586325 1.232887
C -4.129291 -0.511254 -1.309169
C -2.406776 -1.961809 -0.397703
C 7.579310 -2.969391 -0.098452
C 7.589635 -0.542398 0.227025
C -5.083141 -1.114411 -0.499227
C -3.345580 -2.581738 0.430569
C -4.676856 -2.149810 0.370116
C -5.425504 -3.708477 2.063513
H -2.227540 0.466102 -2.845392
H -1.279314 -1.053971 -2.815518
H 4.872162 0.257351 0.272612
H 4.415579 -1.114986 1.273753
H 5.100934 -2.701414 -0.641524
H 5.719790 -1.288807 -1.537828
H 3.211007 -0.667680 -1.570918
H 2.567967 -1.733271 -0.257697
H -2.863083 2.275261 -0.850799
H 1.536486 2.834676 1.588160
H -2.505749 4.172446 0.754269
H -4.429561 0.291799 -1.982518
H -1.361550 -2.279690 -0.361111
H 7.922906 -2.952793 -1.142581
H 8.464564 -3.044267 0.554077
H 6.987498 -3.884844 0.062070
H 6.989592 0.313747 0.576157
H 8.449243 -0.631002 0.910827
H 7.969302 -0.310483 -0.778422
H -6.126650 -0.808384 -0.515628
H -3.034390 -3.374736 1.102019
H -4.723568 -3.350950 2.822459
H -6.415222 -3.895735 2.500864
H -5.051841 -4.595722 1.544804


%chk=000200591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200591

0 1
Cl -0.415393 5.071901 2.462973
O 2.633803 0.532090 0.187886
O -6.131700 -2.785054 0.749077
N -0.651812 0.276807 -1.089674
N 0.672561 -0.208191 -1.002129
N 6.984531 -1.807206 0.141915
C -0.829102 1.417394 -0.317500
C 0.436524 1.699544 0.303082
C -1.613909 -0.420795 -1.947971
C 1.308123 0.652573 -0.166965
C 4.792318 -0.560683 0.123354
C 5.669121 -1.655565 -0.522821
C 3.361536 -0.618892 -0.410989
C -2.791054 -1.031844 -1.191486
C -1.963538 2.237467 -0.090574
C 0.591756 2.816600 1.161640
C -1.803035 3.344583 0.760663
C -0.540719 3.613349 1.365481
C -4.109621 -0.918436 -1.701109
C -2.590822 -1.754372 0.007617
C 7.688323 -3.024374 -0.312683
C 7.840029 -0.608167 0.028171
C -5.199053 -1.514299 -1.038382
C -3.671526 -2.352990 0.690917
C -4.982330 -2.234427 0.162617
C -5.964118 -3.529997 1.999768
H -1.989190 0.271266 -2.727522
H -1.025027 -1.203336 -2.458632
H 5.200098 0.446132 -0.080874
H 4.790007 -0.705248 1.218845
H 5.146145 -2.629419 -0.440783
H 5.781824 -1.440286 -1.620290
H 3.319436 -0.528018 -1.514559
H 2.843334 -1.554257 -0.122854
H -2.935356 2.017212 -0.540919
H 1.549405 3.039344 1.638446
H -2.648913 4.006192 0.969265
H -4.288881 -0.358741 -2.627940
H -1.578341 -1.843179 0.418548
H 7.957843 -3.005302 -1.400372
H 8.620950 -3.151222 0.265666
H 7.053105 -3.910542 -0.134226
H 7.352650 0.259423 0.503117
H 8.792534 -0.788277 0.557353
H 8.079006 -0.336759 -1.032953
H -6.219642 -1.431615 -1.424002
H -3.484224 -2.900728 1.619182
H -5.550248 -2.885899 2.799896
H -6.976840 -3.858633 2.275170
H -5.310969 -4.413123 1.858562


