%chk=000196749.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196749

0 1
Cl 4.151293 1.845534 -1.781128
O 2.364446 3.621471 1.806006
O 0.873774 2.026778 2.310001
O -4.035688 -0.358833 2.046686
O -1.948295 -0.899934 2.156713
N 1.056283 -0.002376 -0.337671
N 2.904585 -0.541944 -1.547186
N -2.913289 -0.425678 1.574770
C 1.772357 -1.037631 -0.984138
C 1.333518 -2.457462 -1.048197
C -0.203000 -0.138372 0.403358
C 1.786812 1.193700 -0.521314
C 1.287819 -3.117483 0.337587
C -1.438035 0.215290 -0.383134
C 0.889452 -4.595358 0.239112
C 2.915475 0.820376 -1.262551
C 1.386046 2.531594 -0.041800
C -2.717087 0.089304 0.203586
C 0.800834 -5.241136 1.619193
C -1.363258 0.689837 -1.702724
C 1.476683 2.639137 1.458714
C -3.878491 0.446932 -0.509716
C -2.515069 1.034891 -2.410446
C -3.777349 0.918742 -1.813924
H 0.344280 -2.528597 -1.548516
H 2.040357 -3.017479 -1.707649
H -0.278967 -1.201969 0.793889
H -0.155188 0.485672 1.349503
H 0.569356 -2.576091 0.994719
H 2.276276 -3.023311 0.831199
H 1.624937 -5.143460 -0.383216
H -0.082802 -4.694479 -0.282329
H 2.037982 3.310028 -0.520516
H 0.344199 2.778655 -0.358504
H 0.053053 -4.748054 2.252099
H 1.758625 -5.195222 2.150999
H 0.519461 -6.297906 1.544907
H -0.391702 0.787324 -2.195282
H -4.857833 0.347857 -0.023724
H -2.431030 1.398535 -3.437437
H -4.674742 1.194325 -2.368572
H 2.464124 3.725494 2.793736


%chk=000196749-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196749

0 1
Cl 4.098060 1.694964 -1.805637
O 1.797076 3.916119 1.887837
O 1.298561 1.715525 2.429253
O -4.307496 0.648551 2.027956
O -2.381647 -0.550587 2.208176
N 0.901269 -0.097282 -0.284884
N 2.705348 -0.697404 -1.519500
N -3.206700 0.187497 1.537534
C 1.566330 -1.144704 -0.935624
C 1.115614 -2.576448 -0.929945
C -0.380974 -0.188370 0.428807
C 1.663598 1.079630 -0.469718
C 1.530941 -3.351150 0.354150
C -1.568674 0.310624 -0.403664
C 1.095933 -4.832738 0.310283
C 2.753292 0.651682 -1.230082
C 1.317960 2.440507 0.048440
C -2.879683 0.506592 0.123388
C 1.507553 -5.609951 1.578904
C -1.391751 0.621583 -1.776557
C 1.469144 2.598947 1.561289
C -3.949531 0.997012 -0.662596
C -2.452174 1.096091 -2.577732
C -3.737295 1.290456 -2.020918
H 0.018220 -2.646862 -1.067346
H 1.580704 -3.061715 -1.806137
H -0.545166 -1.237188 0.722036
H -0.292670 0.361531 1.381592
H 1.095287 -2.864798 1.250987
H 2.630381 -3.284541 0.466475
H 1.540949 -5.315950 -0.583231
H -0.004618 -4.889690 0.180903
H 1.964509 3.185422 -0.444039
H 0.273646 2.722433 -0.199961
H 1.051558 -5.164884 2.483066
H 2.605098 -5.594841 1.714458
H 1.188250 -6.666758 1.524890
H -0.401616 0.488228 -2.221884
H -4.925312 1.133940 -0.189435
H -2.271766 1.315391 -3.635297
H -4.562019 1.661545 -2.636862
H 1.860015 4.010289 2.877726


