%chk=000203050.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203050

2 1
N -0.093608 1.046103 0.291916
N 4.813695 -0.495806 -0.102608
C -2.159047 -0.052268 1.055436
C -2.546515 1.097288 0.071928
C -0.633151 -0.238608 0.939441
C -1.242795 1.557970 -0.603075
C -2.971395 -1.333773 0.699533
C -3.618089 0.579246 -0.934611
C -2.674202 -1.763312 -0.760138
C -3.059645 -0.627775 -1.730571
C 1.144115 0.784586 -0.566256
C -4.434718 -0.927530 0.754563
C -4.768285 0.059558 -0.088479
C 0.206549 2.078237 1.354652
C 2.355465 0.244667 0.212960
C 3.516519 -0.008573 -0.761951
C 5.841756 -0.711841 -1.196707
C 5.344242 0.536103 0.866151
C 4.591544 -1.803831 0.621387
H -2.426027 0.242432 2.098286
H -2.998090 1.943328 0.643570
H -0.164060 -0.419584 1.926280
H -0.401886 -1.115403 0.289770
H -1.157677 1.117512 -1.625279
H -1.195797 2.660407 -0.721489
H -2.740400 -2.154383 1.409277
H -3.937522 1.392187 -1.619505
H -3.263921 -2.675149 -0.992282
H -1.618587 -2.053881 -0.879940
H -2.206348 -0.326423 -2.359123
H -3.838981 -0.981651 -2.438323
H 0.859449 0.065314 -1.376166
H 1.417354 1.738177 -1.085197
H -5.103120 -1.448129 1.427690
H -5.755632 0.482793 -0.221113
H 0.938580 1.721280 2.098003
H 0.584728 3.023949 0.923106
H -0.714338 2.339581 1.923003
H 2.084827 -0.692332 0.746624
H 2.660195 0.969763 0.999588
H 3.210138 -0.764281 -1.529361
H 3.746985 0.927806 -1.331533
H 6.812941 -1.062908 -0.786071
H 6.061738 0.217593 -1.758035
H 5.521740 -1.477303 -1.930758
H 6.325501 0.230710 1.292373
H 5.513987 1.516799 0.379583
H 4.670636 0.694755 1.726713
H 4.177865 -2.584965 -0.046041
H 3.913651 -1.699215 1.486838
H 5.543934 -2.215721 1.023042


%chk=000203050-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203050

2 1
N -0.071248 0.935595 0.282782
N 4.950175 -0.434952 -0.064782
C -2.178446 -0.139862 0.986995
C -2.528219 1.078221 0.042828
C -0.668098 -0.406072 0.793139
C -1.205821 1.469338 -0.649525
C -3.121331 -1.348769 0.643628
C -3.696878 0.666850 -0.924262
C -2.945550 -1.776508 -0.850969
C -3.287165 -0.571551 -1.787648
C 1.224183 0.760670 -0.521234
C -4.547962 -0.823803 0.793623
C -4.847461 0.223541 -0.021903
C 0.120222 1.906915 1.444860
C 2.441868 0.253345 0.293598
C 3.593878 -0.034927 -0.698078
C 5.919751 -0.754060 -1.215078
C 5.537894 0.712458 0.761718
C 4.806188 -1.679839 0.814264
H -2.370030 0.137357 2.038278
H -2.892392 1.925503 0.649242
H -0.147179 -0.703832 1.716923
H -0.482691 -1.152996 0.002156
H -1.078244 0.961195 -1.620576
H -1.062363 2.553790 -0.783561
H -2.922959 -2.197238 1.321318
H -3.981251 1.517424 -1.567251
H -3.623935 -2.623575 -1.045320
H -1.925032 -2.163498 -1.045487
H -2.442620 -0.331474 -2.464001
H -4.132821 -0.822183 -2.448929
H 0.981381 0.053858 -1.335076
H 1.444492 1.743388 -0.976690
H -5.258275 -1.290362 1.482002
H -5.828691 0.704116 -0.070582
H 0.791475 1.464935 2.195728
H 0.537752 2.851668 1.062669
H -0.857261 2.099775 1.908277
H 2.167206 -0.664705 0.842705
H 2.746181 1.019547 1.027744
H 3.321817 -0.865878 -1.373090
H 3.806307 0.854854 -1.318015
H 6.900574 -1.016682 -0.791365
H 6.020466 0.131661 -1.860727
H 5.527630 -1.603033 -1.795513
H 6.535344 0.414095 1.118453
H 5.627717 1.607672 0.127441
H 4.893605 0.919467 1.627909
H 4.345941 -2.488539 0.225866
H 4.189229 -1.446605 1.693827
H 5.806944 -1.992799 1.148791


