%chk=000186941.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186941

0 1
S 0.180954 2.591277 2.696634
N -0.207415 0.347593 1.306829
C -1.627669 0.364247 1.785537
C 0.223764 -0.696798 0.475557
C 2.421585 0.333389 0.302182
C -2.570719 0.888525 0.732593
C 1.508677 -0.714561 -0.021364
C 0.674467 1.380552 1.660200
C -0.703628 -1.810499 0.148610
C 1.999451 1.347732 1.128480
C 3.794290 0.301097 -0.248003
C -2.471268 2.211624 0.275945
C -3.586306 0.061350 0.232458
C -0.808204 -2.905552 1.019615
C -1.429773 -1.786054 -1.050056
C -4.384959 1.866686 -1.180557
C -3.367884 2.694818 -0.676605
C -4.488611 0.546539 -0.716521
C 3.996335 0.159152 -1.630105
C 4.897901 0.416027 0.612055
C -1.645881 -3.973287 0.688722
C -2.264433 -2.859998 -1.373797
C -2.373285 -3.951514 -0.506639
C -5.347231 2.399312 -2.191726
C 5.294715 0.134176 -2.145145
C 6.193743 0.383947 0.090373
C 6.393820 0.244216 -1.286774
H -1.709426 1.000683 2.710048
H -1.907342 -0.664024 2.111249
H 1.839094 -1.537642 -0.654912
H 2.664229 2.174619 1.402247
H -1.693852 2.870860 0.673755
H -3.676867 -0.967399 0.580579
H -0.233728 -2.925067 1.945655
H -1.351170 -0.928549 -1.719838
H -3.281411 3.722781 -1.024373
H -5.275714 -0.103207 -1.092075
H 3.141377 0.078720 -2.300301
H 4.743141 0.526850 1.685539
H -1.729597 -4.825924 1.361845
H -2.830752 -2.843202 -2.304522
H -3.023700 -4.787358 -0.762316
H -5.996106 3.169160 -1.747717
H -4.825751 2.866157 -3.039150
H -6.004585 1.623982 -2.604832
H 5.450494 0.029737 -3.217913
H 7.049130 0.470774 0.759203
H 7.404700 0.222754 -1.690869


%chk=000186941-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186941

0 1
S 0.252373 2.487027 2.989328
N -0.194973 0.259005 1.380076
C -1.623863 0.310559 1.842809
C 0.208336 -0.720449 0.464516
C 2.445947 0.294364 0.331571
C -2.578831 0.854506 0.790057
C 1.493333 -0.704963 -0.067694
C 0.706700 1.267480 1.839099
C -0.728374 -1.826060 0.082812
C 2.028456 1.236375 1.276752
C 3.821209 0.309518 -0.237560
C -2.380568 2.142403 0.226392
C -3.710665 0.106684 0.388541
C -1.082631 -2.834850 1.017656
C -1.202995 -1.922672 -1.249549
C -4.437631 1.917231 -1.116418
C -3.294318 2.658983 -0.714213
C -4.628567 0.633253 -0.548515
C 4.072227 -0.187441 -1.546840
C 4.918320 0.820071 0.511121
C -1.907467 -3.912321 0.628071
C -2.030417 -2.999832 -1.637747
C -2.387410 -3.996103 -0.700654
C -5.428354 2.495027 -2.113195
C 5.373252 -0.168173 -2.091971
C 6.219289 0.837479 -0.032288
C 6.453821 0.344143 -1.337326
H -1.605851 0.979702 2.725050
H -1.933449 -0.695459 2.162481
H 1.776504 -1.514797 -0.743297
H 2.694024 2.035543 1.609708
H -1.517800 2.740404 0.541829
H -3.872501 -0.896907 0.801552
H -0.690457 -2.789701 2.040638
H -0.939776 -1.141641 -1.970987
H -3.126292 3.657769 -1.136602
H -5.500095 0.037060 -0.845448
H 3.241282 -0.562406 -2.154867
H 4.757331 1.177628 1.534004
H -2.166123 -4.688922 1.356190
H -2.398623 -3.056928 -2.667788
H -3.028133 -4.832042 -1.002314
H -5.974930 3.354476 -1.679806
H -4.919254 2.861396 -3.023914
H -6.176884 1.744561 -2.420788
H 5.543204 -0.545972 -3.106230
H 7.051370 1.226828 0.564516
H 7.464855 0.356864 -1.758957


