%chk=000248728.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248728

0 1
S -1.257466 -0.398065 1.031139
O 1.279077 -1.566855 0.311134
N -0.787633 2.836963 0.625028
N 2.494533 0.337559 -0.130804
N 2.545708 1.663407 -0.335995
C -3.207099 3.599097 -0.872189
C -3.163971 2.350531 0.019361
C -1.801343 4.000012 -1.342177
C -2.146628 2.527207 1.156087
C -0.828800 4.116328 -0.155963
C 0.165123 1.882783 0.302668
C 0.116275 0.509244 0.480452
C 1.468878 2.396602 -0.161752
C 1.255524 -0.355380 0.259814
C -1.623171 -1.514711 -0.373215
C 3.766740 -0.360146 -0.297550
C -2.952901 -2.101842 -0.045241
C 3.779651 -1.639453 -0.876983
C 4.959282 0.252795 0.124932
C -4.115817 -1.623116 -0.670978
C -3.050520 -3.140864 0.895857
C 4.999134 -2.303495 -1.027139
C 6.168157 -0.425804 -0.041928
C 6.192263 -1.701318 -0.615328
C -5.358707 -2.180758 -0.359952
C -4.296400 -3.691566 1.203841
C -5.452393 -3.214585 0.576827
H -3.673614 4.438953 -0.321834
H -3.856556 3.413357 -1.748786
H -2.903897 1.456144 -0.582461
H -4.164195 2.141392 0.443350
H -1.840608 4.961997 -1.886934
H -1.421514 3.253066 -2.067300
H -2.127222 1.650347 1.837902
H -2.438701 3.389163 1.802730
H -1.155640 4.921294 0.541438
H 0.187031 4.404037 -0.508056
H 1.586678 3.472217 -0.362913
H -0.819941 -2.282451 -0.437596
H -1.612413 -0.962162 -1.327910
H 2.848234 -2.121629 -1.183580
H 4.944618 1.246920 0.571210
H -4.050987 -0.818022 -1.399051
H -2.152053 -3.513137 1.389054
H 5.015550 -3.299588 -1.468741
H 7.096755 0.043444 0.280877
H 7.137807 -2.225480 -0.738332
H -6.256727 -1.808702 -0.849493
H -4.366672 -4.495314 1.935109
H -6.420831 -3.647011 0.817371


%chk=000248728-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248728

0 1
S -1.554189 -0.215502 0.662908
O 1.201467 -1.584933 0.597273
N -0.862539 2.822973 0.037968
N 2.474961 0.253311 -0.189081
N 2.582853 1.582556 -0.545777
C -3.305309 4.441158 -0.092381
C -3.226133 3.167685 0.781223
C -2.315594 4.347030 -1.277049
C -1.770618 2.906377 1.212619
C -0.875493 4.050419 -0.792017
C 0.184214 1.901111 -0.043186
C 0.066914 0.524194 0.255207
C 1.497370 2.347854 -0.467169
C 1.234821 -0.357413 0.258971
C -1.571585 -1.832423 -0.405455
C 3.742560 -0.462037 -0.222298
C -2.912587 -2.492617 -0.222191
C 3.807385 -1.867124 -0.403358
C 4.939697 0.290457 -0.100375
C -3.989527 -2.213158 -1.103983
C -3.122545 -3.405239 0.845284
C 5.067960 -2.502657 -0.454512
C 6.188922 -0.359117 -0.151227
C 6.262892 -1.760663 -0.327740
C -5.244196 -2.838534 -0.931247
C -4.376911 -4.029766 1.021777
C -5.441632 -3.748927 0.133330
H -3.054327 5.327946 0.526377
H -4.334901 4.592184 -0.466544
H -3.588689 2.288216 0.217079
H -3.859577 3.275301 1.682173
H -2.309917 5.289629 -1.857711
H -2.630833 3.534388 -1.959287
H -1.695447 1.986199 1.810784
H -1.422120 3.749350 1.855190
H -0.494858 4.921933 -0.210226
H -0.219260 3.907591 -1.666784
H 1.673877 3.392153 -0.737575
H -0.725032 -2.430752 -0.040774
H -1.397495 -1.509798 -1.443983
H 2.891367 -2.451346 -0.479243
H 4.876302 1.373889 0.020239
H -3.838852 -1.506336 -1.929198
H -2.297341 -3.622146 1.533807
H 5.108288 -3.588652 -0.593791
H 7.105775 0.232178 -0.049914
H 7.235115 -2.264226 -0.364173
H -6.064668 -2.618624 -1.623703
H -4.523759 -4.735050 1.847500
H -6.414207 -4.235632 0.268242


