%chk=000238855.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238855

0 1
S 2.248109 -0.274042 -1.564265
O 4.065568 -1.471790 1.225781
O 3.732350 0.143878 2.622467
N -2.443566 -1.440101 -0.250157
N -0.897485 -1.245641 -1.948044
N -1.054664 -0.588501 1.643072
N 3.968930 1.834132 -1.482518
N 1.231489 0.004239 0.883296
N 5.060085 1.707474 0.503903
N 0.573980 0.312267 3.126288
N 3.964002 -0.294639 1.510584
C -3.741279 -1.657263 0.415794
C -1.290552 -0.921480 0.338273
C -0.317937 -0.820853 -0.740817
C -4.647717 -0.461054 0.243752
C -2.150981 -1.593522 -1.649716
C 0.952100 -0.346937 -0.375375
C 3.454708 0.718306 -0.818326
C -5.757885 -0.532201 -0.608083
C -4.376232 0.721361 0.947548
C 0.226850 -0.119463 1.864300
C 4.137097 0.669411 0.409572
C 4.960413 2.398554 -0.655241
C -6.597232 0.577141 -0.749878
C -5.216764 1.827144 0.799077
C 3.580859 2.301847 -2.815888
C -6.328153 1.756236 -0.048005
H -3.556483 -1.845661 1.505949
H -4.203010 -2.586841 0.009326
H -2.895697 -1.963654 -2.341081
H -5.973158 -1.445211 -1.159255
H -3.505882 0.776168 1.605953
H 5.549084 3.265389 -0.920998
H -7.461570 0.521821 -1.409951
H -5.004986 2.746039 1.344498
H 3.890027 3.350975 -2.969647
H 4.046376 1.682864 -3.607484
H 2.480327 2.252328 -2.951862
H -6.982607 2.619029 -0.160916
H -0.020802 0.080452 3.907966
H 1.559591 0.490600 3.324009


%chk=000238855-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238855

0 1
S 2.346240 -0.367259 -1.720110
O 3.870716 -1.654241 1.037674
O 3.941245 -0.052587 2.665668
N -2.418446 -1.359383 -0.268421
N -0.894579 -1.299009 -1.993329
N -1.004798 -0.516323 1.571687
N 4.049883 1.830139 -1.420345
N 1.264818 -0.000786 0.800753
N 4.987927 1.687240 0.644758
N 0.677016 0.270410 3.039890
N 3.989320 -0.431391 1.431043
C -3.690573 -1.556684 0.462445
C -1.234442 -0.872795 0.284171
C -0.294367 -0.848231 -0.803154
C -4.684605 -0.415770 0.269674
C -2.155490 -1.589144 -1.633576
C 0.991558 -0.384134 -0.449437
C 3.572276 0.634051 -0.858417
C -5.901515 -0.627613 -0.421960
C -4.400262 0.871415 0.794424
C 0.286222 -0.091367 1.776925
C 4.173571 0.587553 0.413024
C 4.908819 2.409873 -0.487637
C -6.824028 0.430875 -0.592775
C -5.318729 1.929089 0.622073
C 3.708011 2.369291 -2.745695
C -6.533251 1.711968 -0.072119
H -3.412032 -1.654039 1.527163
H -4.129205 -2.515345 0.133432
H -2.922379 -1.964717 -2.307839
H -6.132488 -1.621728 -0.825641
H -3.462202 1.036030 1.338259
H 5.455738 3.328757 -0.684501
H -7.763701 0.256087 -1.128364
H -5.092389 2.919921 1.031404
H 4.041374 3.417620 -2.796866
H 4.201002 1.791992 -3.546224
H 2.617519 2.325274 -2.899158
H -7.246318 2.533483 -0.202941
H 0.022499 0.172259 3.811214
H 1.667347 0.458018 3.206729


