%chk=000201953.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201953

0 1
Cl 7.633831 0.932407 -1.637515
Cl 0.557076 -5.996561 2.148392
N -0.721724 2.399294 0.793918
N 2.071815 1.996360 0.146714
N -2.848132 -0.252116 0.530424
N -4.041825 1.707834 -0.251590
N -3.930718 -0.300199 -1.664374
N -2.786007 -2.191671 -0.929579
N -5.160408 1.602021 -2.339332
C 0.101475 1.383538 1.526127
C 0.150802 3.545138 0.373083
C 1.211120 0.857266 0.594531
C 1.253895 3.023465 -0.569663
C -1.868970 2.901044 1.618214
C 3.361976 1.699867 -0.360928
C -2.876075 1.775291 1.918620
C 4.021275 0.498780 0.004361
C 4.066872 2.653443 -1.138021
C -3.272062 1.050507 0.661692
C 5.336661 0.265725 -0.384891
C 5.382604 2.418368 -1.526293
C 6.004293 1.226159 -1.148754
C -3.181906 -0.886605 -0.650309
C -4.353663 0.992054 -1.407786
C -1.973103 -3.053943 -0.131849
C -1.440450 -4.187053 -0.791205
C -1.719879 -2.845834 1.235481
C -0.659044 -5.097501 -0.083616
C -0.934297 -3.759624 1.939030
C -0.413461 -4.871502 1.273991
H 0.548161 1.779810 2.462956
H -0.560887 0.529368 1.799261
H 0.613256 4.077603 1.233023
H -0.475484 4.279944 -0.177943
H 1.829683 0.115261 1.148527
H 0.754525 0.329199 -0.273711
H 1.903762 3.874017 -0.876606
H 0.794679 2.601814 -1.492678
H -1.553970 3.367638 2.576701
H -2.386379 3.688678 1.019161
H -2.455242 1.056741 2.656019
H -3.782067 2.213881 2.393321
H 3.504388 -0.248056 0.606343
H 3.586442 3.587554 -1.425942
H 5.840830 -0.657942 -0.098283
H 5.922095 3.156665 -2.120396
H -3.068223 -2.548294 -1.853954
H -5.334608 1.155003 -3.225926
H -5.402370 2.575205 -2.232765
H -1.630413 -4.355729 -1.850123
H -2.131514 -1.975393 1.757146
H -0.242937 -5.973696 -0.582820
H -0.733499 -3.606523 3.000418


%chk=000201953-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201953

0 1
Cl 7.773863 1.050800 -1.772953
Cl 0.296821 -6.397884 2.285200
N -0.705655 2.462472 0.843852
N 2.077365 2.091239 0.121449
N -2.818379 -0.302535 0.517861
N -3.969220 1.655583 -0.336578
N -3.831832 -0.364378 -1.701563
N -2.747259 -2.238395 -0.899262
N -4.940299 1.552504 -2.467920
C 0.152402 1.522726 1.598954
C 0.108999 3.601334 0.363447
C 1.293228 0.987983 0.714113
C 1.231522 3.101539 -0.558598
C -1.913473 2.909663 1.575351
C 3.386576 1.835588 -0.351892
C -2.903782 1.755128 1.870648
C 3.956247 0.524436 -0.316333
C 4.210058 2.894413 -0.849359
C -3.254099 0.994192 0.613932
C 5.282193 0.287366 -0.737029
C 5.529895 2.660187 -1.279896
C 6.058069 1.356045 -1.216796
C -3.132974 -0.931051 -0.662490
C -4.227512 0.925617 -1.481475
C -2.027270 -3.163979 -0.104334
C -1.767091 -4.440501 -0.677900
C -1.567572 -2.886595 1.212100
C -1.062884 -5.425284 0.041984
C -0.862538 -3.873343 1.933103
C -0.616920 -5.127714 1.344309
H 0.591567 2.012953 2.506061
H -0.453330 0.660701 1.926384
H 0.560700 4.172561 1.215224
H -0.541492 4.290986 -0.205952
H 1.955906 0.375513 1.349567
H 0.859374 0.330862 -0.074334
H 1.845460 3.960418 -0.870617
H 0.770571 2.660683 -1.471593
H -1.661122 3.415104 2.543315
H -2.431077 3.648477 0.936180
H -2.495908 1.047032 2.610384
H -3.822930 2.201706 2.292220
H 3.365030 -0.332264 0.016609
H 3.836017 3.921840 -0.878842
H 5.694532 -0.725589 -0.702900
H 6.142431 3.488696 -1.648308
H -3.048069 -2.561545 -1.823282
H -5.155997 1.052290 -3.326416
H -5.239654 2.513107 -2.321183
H -2.115658 -4.668348 -1.692785
H -1.775295 -1.906727 1.645019
H -0.865777 -6.404149 -0.403751
H -0.511559 -3.662763 2.947676


