%chk=000228456.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228456

0 1
S 2.188204 0.903864 -0.721873
S -1.601117 -1.862358 1.067532
N 2.442840 -0.270227 1.563608
N -0.980572 -1.869369 -1.441311
N 2.664143 -1.247099 0.655507
N 0.033585 -2.531505 -0.838360
N 2.796651 -1.586002 -1.764817
N 0.703605 -3.361108 1.365126
C -1.625749 3.470831 0.428082
C -2.374333 2.183085 0.051822
C -0.105331 3.306467 0.563788
C -1.898811 1.581877 -1.276872
C 0.292981 2.441322 1.764946
C -2.872605 0.560168 -1.875949
C 1.803801 2.146486 1.814505
C -3.149497 -0.657272 -0.976426
C 2.156368 0.918184 1.070981
C -1.927477 -1.420734 -0.644684
C 2.560324 -0.841664 -0.625937
C -0.097642 -2.646129 0.497925
H -2.043162 3.864491 1.375921
H -1.831896 4.249471 -0.333619
H -2.256134 1.434881 0.859837
H -3.458249 2.404377 -0.000798
H 0.359589 4.307841 0.656414
H 0.301508 2.875417 -0.371749
H -0.906529 1.106705 -1.133139
H -1.736585 2.390161 -2.017697
H -0.276559 1.488831 1.751150
H -0.006005 2.948534 2.703147
H -2.462530 0.205325 -2.845661
H -3.837060 1.051054 -2.112416
H 2.387301 3.014890 1.439959
H 2.118574 2.028060 2.879728
H -3.674347 -0.323156 -0.055519
H -3.867159 -1.336377 -1.496598
H 2.210059 -1.360798 -2.567944
H 2.829227 -2.597142 -1.618892
H 0.805124 -2.969873 2.300873
H 1.619561 -3.624908 0.990410


%chk=000228456-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228456

0 1
S 2.650457 0.900779 -0.711065
S -1.893187 -2.248177 1.110730
N 2.551514 -0.429486 1.600900
N -1.027589 -1.241325 -1.210975
N 2.967737 -1.382005 0.648986
N 0.082431 -1.925915 -0.693170
N 3.444846 -1.602180 -1.683346
N 0.790738 -3.134221 1.242464
C -1.515784 3.473913 0.262517
C -2.496896 2.307697 -0.031877
C -0.023887 3.067939 0.405270
C -2.291297 1.674165 -1.427347
C 0.273669 2.248847 1.683450
C -3.307012 0.563234 -1.797423
C 1.783774 1.930752 1.917661
C -3.427784 -0.600532 -0.774951
C 2.312675 0.777172 1.112441
C -2.119309 -1.277941 -0.467152
C 3.062456 -0.871583 -0.591002
C -0.163835 -2.486012 0.505787
H -1.830594 3.990078 1.193639
H -1.604695 4.220169 -0.553794
H -2.393990 1.532880 0.753813
H -3.536435 2.690342 0.044505
H 0.592053 3.991239 0.430965
H 0.296475 2.504854 -0.492338
H -1.274394 1.249681 -1.503628
H -2.361038 2.473530 -2.194345
H -0.291751 1.297909 1.679984
H -0.082400 2.828091 2.559690
H -3.022841 0.144390 -2.780803
H -4.318895 1.003534 -1.909048
H 2.384427 2.842031 1.729130
H 1.934733 1.649761 2.975980
H -3.866705 -0.227720 0.169778
H -4.145730 -1.348334 -1.169910
H 3.254363 -1.264769 -2.623137
H 3.566887 -2.605503 -1.550924
H 0.559987 -3.503111 2.161673
H 1.770924 -2.837571 1.057875


