%chk=000258009.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258009

0 1
S 1.341216 -1.851155 0.341467
O 2.292418 -2.774496 -0.241845
O 0.746141 -2.134771 1.626189
N 0.054282 -1.747085 -0.830920
N -5.670299 1.807809 0.149926
C 1.992806 -0.263192 0.339126
C -1.156056 -1.047901 -0.633872
C 1.469799 0.722474 1.185651
C 3.068951 0.046395 -0.503194
C 0.277083 -2.418117 -2.136294
C 3.076965 2.325851 0.328181
C 2.004088 2.009794 1.180952
C 3.608625 1.330924 -0.512789
C -1.904587 -0.570292 -1.738239
C -1.626821 -0.796074 0.677708
C -3.070306 0.157855 -1.531722
C -2.791018 -0.065506 0.873994
C 3.658624 3.698139 0.329980
C -3.518373 0.426904 -0.226157
C -4.707743 1.187738 -0.018195
H 0.640150 0.484026 1.861432
H 3.496665 -0.727091 -1.152154
H 0.544531 -1.692372 -2.922393
H -0.622144 -2.972914 -2.457056
H 1.100093 -3.158878 -2.057297
H 1.590495 2.770719 1.841405
H 4.446026 1.563091 -1.168807
H -1.570885 -0.758117 -2.755866
H -1.115411 -1.220287 1.551856
H -3.640069 0.527488 -2.386708
H -3.151282 0.120666 1.888265
H 2.916656 4.471555 0.575979
H 4.463241 3.778649 1.079156
H 4.097142 3.974373 -0.639460


%chk=000258009-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258009

0 1
S 1.334660 -2.036580 0.509851
O 2.470463 -3.034150 -0.089190
O 0.701106 -2.239805 1.989691
N -0.180078 -2.192809 -0.793229
N -5.378825 2.218467 0.274497
C 1.979131 -0.269188 0.383458
C -1.208223 -1.240559 -0.588853
C 1.412837 0.712287 1.214457
C 3.006651 -0.007328 -0.538743
C 0.387769 -2.393120 -2.140012
C 2.939492 2.353322 0.179541
C 1.905223 2.030267 1.098513
C 3.481082 1.319314 -0.630958
C -1.660900 -0.371967 -1.628708
C -1.871602 -1.202561 0.678300
C -2.738933 0.502257 -1.410463
C -2.928760 -0.309280 0.899379
C 3.480672 3.767813 0.092615
C -3.379067 0.555413 -0.141769
C -4.471748 1.460804 0.084148
H 0.634445 0.451845 1.938024
H 3.437915 -0.816702 -1.136731
H 0.766707 -1.470303 -2.629992
H -0.400815 -2.837763 -2.773585
H 1.212022 -3.120725 -2.058996
H 1.482224 2.816127 1.734297
H 4.286963 1.552066 -1.336246
H -1.182896 -0.389804 -2.612213
H -1.548811 -1.888148 1.466127
H -3.086630 1.155742 -2.217018
H -3.431586 -0.289179 1.871337
H 2.704884 4.515024 0.332824
H 4.310317 3.913458 0.811213
H 3.875314 3.991967 -0.913267


