%chk=000299105.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299105

0 1
S 5.470729 -0.389127 -0.448503
O -4.645511 2.329887 0.180236
O -1.205734 -1.632327 -0.869048
N -4.726237 0.147737 -0.582261
N -0.568914 -1.193948 1.312780
N 0.785059 -1.231713 1.002625
N 2.792961 -2.113842 0.342003
N 1.355127 1.210890 0.790730
N 3.674670 1.538570 0.087764
C -2.923772 -0.836825 0.664745
C -3.954177 -1.113731 -0.467143
C -3.024159 0.667589 0.979209
C -4.202478 1.201546 0.166928
C -1.517790 -1.224815 0.222063
C -5.756805 0.299858 -1.620020
C 1.610721 -0.131343 0.704187
C 2.877747 -0.709719 0.322292
C 1.549528 -2.418791 0.715137
C 3.908310 0.209143 0.016055
C 2.423331 1.983474 0.466540
C 6.452901 1.089908 -0.738758
H -3.203099 -1.436544 1.566476
H -3.451183 -1.370829 -1.429391
H -4.628078 -1.954977 -0.205400
H -2.113761 1.238901 0.701733
H -3.190050 0.864233 2.054445
H -6.569477 -0.429765 -1.466893
H -5.340176 0.166172 -2.632724
H -6.192449 1.318027 -1.559772
H -0.758522 -0.549244 2.102606
H 1.120405 -3.407628 0.826343
H 2.288247 3.077519 0.506528
H 6.022523 1.721301 -1.528972
H 7.458087 0.774150 -1.046070
H 6.536125 1.713065 0.162528


%chk=000299105-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299105

0 1
S 5.707897 -0.570409 -0.321416
O -5.136685 2.323190 0.045230
O -1.090083 -1.104547 -1.216400
N -4.955424 0.029606 -0.488289
N -0.524897 -1.085384 1.049516
N 0.839083 -1.214659 0.804744
N 2.819291 -2.184928 0.197626
N 1.537165 1.169403 0.860494
N 3.911398 1.427781 0.303776
C -2.827840 -0.506153 0.431806
C -3.943572 -1.040991 -0.513274
C -3.008524 1.045044 0.389804
C -4.480371 1.246864 -0.013382
C -1.430893 -0.926754 -0.020444
C -6.283968 -0.131990 -1.075051
C 1.752239 -0.155871 0.667765
C 2.980364 -0.787021 0.307536
C 1.532023 -2.402796 0.491198
C 4.088131 0.085203 0.128843
C 2.673422 1.900026 0.652649
C 6.693980 1.031094 -0.416442
H -3.021720 -0.860131 1.461990
H -3.539165 -1.197345 -1.533113
H -4.370386 -1.995610 -0.154121
H -2.366852 1.511628 -0.380402
H -2.795521 1.542346 1.348927
H -6.853676 -0.927262 -0.558518
H -6.219581 -0.384674 -2.151157
H -6.817497 0.826573 -0.963531
H -0.787825 -0.817727 2.001709
H 1.031385 -3.368110 0.493433
H 2.588617 2.982655 0.779619
H 6.260408 1.687828 -1.182727
H 7.715598 0.723915 -0.688264
H 6.677575 1.536008 0.558863


