%chk=000189875.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189875

0 1
O -1.948955 4.084954 -0.214193
O -1.957466 -4.411469 0.476465
O 0.046620 -3.931074 1.135197
N -2.008380 1.842595 -0.586076
N 0.614108 2.193555 0.971041
N -1.044080 -3.627449 0.679266
C 3.630265 0.004214 -1.821254
C 2.159035 0.154182 -1.404771
C 4.413028 -0.818983 -0.790674
C 2.022711 0.498144 0.053565
C 4.375636 -0.143377 0.588572
C 3.013467 0.365426 0.947739
C 0.679246 1.007867 0.458375
C -0.464795 0.077616 0.243717
C -1.724888 0.490364 -0.261650
C -0.256696 -1.274485 0.546333
C -0.680312 2.762594 1.356475
C -1.573657 2.992023 0.147123
C -2.740331 -0.481614 -0.472857
C -1.275890 -2.212195 0.348657
C -2.523961 -1.814255 -0.170510
C -2.940998 2.102489 -1.720235
H 1.608901 -0.787218 -1.611953
H 1.675111 0.935712 -2.025842
H 3.693168 -0.469304 -2.818129
H 4.090553 1.006800 -1.924665
H 5.460157 -0.949027 -1.120362
H 3.983873 -1.837400 -0.719673
H 5.085821 0.712511 0.609729
H 4.734048 -0.850988 1.363596
H 2.881541 0.645228 1.994119
H 0.716366 -1.609656 0.938288
H -0.459501 3.762752 1.819998
H -1.209368 2.168712 2.136844
H -3.715106 -0.177653 -0.858030
H -3.309708 -2.565050 -0.321881
H -2.807062 3.145203 -2.079054
H -3.993062 1.994688 -1.409843
H -2.729436 1.427069 -2.563847


%chk=000189875-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189875

0 1
O -1.920296 4.162051 0.060401
O -2.232306 -4.457478 0.226440
O -0.106310 -4.060123 0.959127
N -1.989980 1.910226 -0.546834
N 0.616217 2.112559 1.038243
N -1.242745 -3.666301 0.484792
C 3.630313 -0.302391 -1.805726
C 2.175259 -0.328230 -1.281207
C 4.620853 -0.693314 -0.686094
C 2.040884 0.432636 0.039496
C 4.546183 0.319488 0.481246
C 3.127683 0.725870 0.814307
C 0.691579 0.930023 0.456822
C -0.496882 0.044840 0.216167
C -1.761533 0.535510 -0.264672
C -0.354542 -1.343186 0.453452
C -0.716677 2.570781 1.501723
C -1.580054 2.975150 0.303340
C -2.812615 -0.393631 -0.532053
C -1.422243 -2.225145 0.214961
C -2.658200 -1.763903 -0.292546
C -2.894577 2.278841 -1.664860
H 1.850932 -1.382430 -1.162430
H 1.493156 0.113457 -2.034526
H 3.728190 -0.988804 -2.667824
H 3.873639 0.715839 -2.169317
H 5.653617 -0.743517 -1.078546
H 4.366675 -1.706033 -0.314891
H 5.120769 1.236859 0.227087
H 5.036608 -0.092755 1.385890
H 2.964711 1.311296 1.729070
H 0.591067 -1.741177 0.832230
H -0.584444 3.470020 2.120144
H -1.252234 1.795321 2.092097
H -3.771281 -0.024402 -0.905874
H -3.467194 -2.475591 -0.475585
H -2.644294 3.305953 -1.970478
H -3.957087 2.270832 -1.358224
H -2.742837 1.584360 -2.505748


