%chk=000232258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232258

0 1
S -3.216857 1.336143 -1.209794
N -0.765001 1.232382 -0.108861
N 2.051566 0.557748 -0.132336
C 0.026248 1.257683 -1.382561
C 0.126706 1.579562 1.048777
C 1.167938 0.226186 -1.293676
C 1.265940 0.544698 1.140487
C -1.939097 2.131615 -0.167898
C 3.353112 -0.020563 -0.108000
C 3.987696 -0.411281 -1.310920
C 4.082763 -0.099213 1.101697
C 5.308036 -0.855593 -1.294259
C 5.402500 -0.546449 1.096112
C -3.889999 0.040606 -0.223455
C 6.024478 -0.930498 -0.095670
C -5.283015 -0.018870 -0.123398
C -3.075424 -0.922682 0.373021
C -5.868436 -1.072029 0.586810
C -3.670820 -1.965854 1.090486
C -5.063787 -2.042264 1.194886
H 0.443152 2.262924 -1.610569
H -0.647458 0.977170 -2.223853
H -0.474696 1.539115 1.982360
H 0.555889 2.602482 0.970254
H 0.746487 -0.800462 -1.205779
H 1.763006 0.262067 -2.234855
H 1.932747 0.813015 1.991758
H 0.846741 -0.464840 1.350967
H -1.757637 3.123995 -0.635105
H -2.347407 2.304136 0.850160
H 3.454284 -0.352800 -2.257520
H 3.624437 0.203264 2.040767
H 5.785851 -1.149481 -2.228814
H 5.954158 -0.597951 2.034711
H 7.051704 -1.280925 -0.091033
H -5.910608 0.741097 -0.589344
H -1.986576 -0.862888 0.283293
H -6.952029 -1.134070 0.668492
H -3.047164 -2.722282 1.563179
H -5.523329 -2.858495 1.749482


%chk=000232258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232258

0 1
S -3.288443 1.499610 -1.226224
N -0.704993 1.319891 -0.065470
N 2.054676 0.477379 -0.107979
C 0.090611 1.408959 -1.308829
C 0.151006 1.497215 1.133596
C 1.217397 0.360850 -1.318279
C 1.257949 0.429551 1.139002
C -1.912778 2.140480 -0.066607
C 3.377990 -0.038923 -0.117384
C 3.896880 -0.754488 -1.239180
C 4.254747 0.180398 0.989942
C 5.231686 -1.213599 -1.251595
C 5.580727 -0.292933 0.970246
C -3.980155 0.096278 -0.250222
C 6.088011 -0.992986 -0.150564
C -5.383265 -0.095511 -0.283767
C -3.153837 -0.795782 0.475881
C -5.958748 -1.184871 0.409477
C -3.742884 -1.867716 1.185157
C -5.142548 -2.070838 1.151197
H 0.538924 2.427091 -1.425813
H -0.583977 1.225844 -2.165001
H -0.473056 1.379407 2.039269
H 0.621120 2.510974 1.160239
H 0.768914 -0.656218 -1.406781
H 1.841444 0.541586 -2.209944
H 1.909593 0.591142 2.010952
H 0.781711 -0.572642 1.251566
H -1.756964 3.178756 -0.438424
H -2.336445 2.177998 0.950364
H 3.257776 -0.978201 -2.098154
H 3.912468 0.751684 1.859000
H 5.597045 -1.761696 -2.128131
H 6.227767 -0.100197 1.834155
H 7.120992 -1.355577 -0.162676
H -6.017205 0.605217 -0.837941
H -2.068840 -0.645495 0.466687
H -7.044337 -1.331231 0.378125
H -3.102815 -2.554891 1.750729
H -5.592044 -2.910119 1.693377


