%chk=000240888.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240888

0 1
S 2.656121 1.340370 0.044069
N -2.254820 0.705135 -0.506164
N -0.452155 2.139130 -0.562612
N -1.059771 -1.380162 0.182621
N 1.381342 -0.985069 0.445792
N 0.396763 -3.085528 0.932760
C -3.656926 0.251056 -0.534300
C -1.142531 -0.051173 -0.140030
C -4.378705 0.605895 0.776953
C -0.013479 0.858963 -0.190551
C -1.772701 2.039420 -0.735808
C 1.251953 0.312892 0.117136
C 4.079405 0.277364 0.555841
C -5.840410 0.177842 0.723479
C 0.222710 -1.780638 0.487794
C 5.291600 1.000486 -0.003687
C 4.087947 0.159129 2.066120
H -4.167681 0.714972 -1.407559
H -3.670123 -0.855201 -0.694319
H -4.304961 1.693435 0.974963
H -3.867127 0.111188 1.629366
H -2.441486 2.836322 -1.027034
H 3.963215 -0.729506 0.086020
H -6.386481 0.677072 -0.085199
H -6.354494 0.423228 1.661550
H -5.943010 -0.904193 0.574727
H 6.213904 0.454870 0.240004
H 5.254485 1.092341 -1.098062
H 5.409159 2.013039 0.406360
H 4.962166 -0.405259 2.415498
H 3.196150 -0.372725 2.431710
H 4.111845 1.135051 2.567711
H -0.353609 -3.744980 0.785609
H 1.333306 -3.461767 0.954942


%chk=000240888-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240888

0 1
S 2.705075 1.500596 -0.030653
N -2.268112 0.841035 -0.561515
N -0.470631 2.273742 -0.704201
N -1.108198 -1.201707 0.205020
N 1.317947 -0.838127 0.456079
N 0.337630 -2.916681 0.901839
C -3.658672 0.355623 -0.571828
C -1.149919 0.101872 -0.174890
C -4.330832 0.439564 0.818065
C -0.041867 1.003081 -0.272005
C -1.796989 2.135667 -0.861264
C 1.225200 0.459923 0.069605
C 4.060718 0.277701 0.569824
C -5.782067 -0.083104 0.777710
C 0.168159 -1.607196 0.505257
C 5.395910 0.784873 -0.001053
C 4.048875 0.178369 2.103379
H -4.225556 0.950483 -1.312125
H -3.644152 -0.694339 -0.916768
H -4.313210 1.489351 1.169261
H -3.732797 -0.152644 1.535257
H -2.469424 2.924258 -1.193949
H 3.771955 -0.689708 0.125552
H -6.403814 0.503882 0.075320
H -6.251722 -0.018819 1.775194
H -5.816808 -1.141287 0.457786
H 6.210802 0.104841 0.311504
H 5.378542 0.821786 -1.104105
H 5.638262 1.795231 0.376992
H 4.826469 -0.536284 2.438889
H 3.071082 -0.181635 2.463714
H 4.260231 1.159163 2.566193
H -0.471378 -3.528730 0.951194
H 1.270893 -3.247782 1.126420


