%chk=000221221.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221221

0 1
S 0.242405 1.620296 -0.522829
O 0.471139 3.004511 -0.140649
O -0.247148 1.338232 -1.858014
N -0.925343 1.047227 0.646844
N 5.093297 -1.585755 0.485481
C -1.926255 2.077034 1.056820
C -3.122284 2.106476 0.096074
C -3.830407 0.746695 0.085253
C -1.504831 -0.254988 0.435594
C -2.885517 -0.421279 0.166280
C -0.672899 -1.382619 0.561395
C 1.644733 0.688570 -0.223126
C -3.392065 -1.716534 -0.003407
C -1.200567 -2.662375 0.384756
C -2.557354 -2.832244 0.096863
C 2.060764 -0.272410 -1.159011
C 2.405579 0.905065 0.935639
C 3.210533 -1.019024 -0.947343
C 3.559799 0.172297 1.175306
C 3.971036 -0.803872 0.231447
H -1.428129 3.074294 1.112863
H -2.260949 1.831020 2.090032
H -2.781618 2.362306 -0.929602
H -3.827487 2.906569 0.385274
H -4.450054 0.663132 -0.832319
H -4.540056 0.687481 0.938122
H 0.379465 -1.265417 0.817347
H -4.450445 -1.856550 -0.219750
H -0.550266 -3.530389 0.477818
H -2.965132 -3.830271 -0.045162
H 1.468275 -0.431356 -2.071011
H 2.089861 1.665518 1.659775
H 3.521192 -1.762598 -1.675152
H 4.138648 0.343671 2.077755
H 5.726741 -1.331891 1.224010
H 5.485541 -2.155124 -0.244672


%chk=000221221-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221221

0 1
S 0.236329 1.542149 -0.584932
O 0.458419 3.126377 -0.222914
O -0.250327 1.087902 -2.084007
N -1.064774 0.864539 0.946966
N 5.438859 -1.365898 0.495645
C -1.972015 2.029183 1.161166
C -3.135875 2.109848 0.151478
C -3.967214 0.813214 0.209235
C -1.695019 -0.345975 0.537574
C -3.085680 -0.428032 0.197342
C -0.899423 -1.530407 0.547826
C 1.822217 0.634626 -0.230290
C -3.632035 -1.696294 -0.106113
C -1.459865 -2.775520 0.219099
C -2.836802 -2.862364 -0.108583
C 2.196073 -0.418724 -1.085621
C 2.615439 1.043777 0.858119
C 3.408695 -1.086364 -0.842201
C 3.825538 0.371883 1.099647
C 4.240326 -0.704608 0.254964
H -1.346076 2.940022 1.126462
H -2.352378 1.923855 2.198389
H -2.719357 2.253150 -0.863571
H -3.769070 2.987093 0.377962
H -4.683295 0.769445 -0.632312
H -4.577161 0.808816 1.137697
H 0.151757 -1.448327 0.842663
H -4.697945 -1.765873 -0.358352
H -0.837397 -3.676799 0.231875
H -3.284094 -3.830481 -0.359565
H 1.551458 -0.688855 -1.928599
H 2.299869 1.880761 1.488493
H 3.720179 -1.903780 -1.502846
H 4.459661 0.679314 1.939333
H 6.042025 -1.090657 1.265544
H 5.749160 -2.121298 -0.108874


