%chk=000215968.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215968

0 1
O -0.092724 -0.583164 0.795000
O -0.299712 1.460761 -0.147252
N -3.657389 -0.292118 0.058446
C -2.355541 -1.027921 -0.002666
C -4.772881 -1.084265 -0.556749
C -3.533138 1.065303 -0.575072
C -1.502089 -0.563732 1.185545
C -5.162107 -2.247668 0.356955
C -4.628462 1.986879 -0.038395
C 1.844579 0.327817 -0.187374
C 0.403688 0.510865 0.121690
C 2.527303 -0.837486 0.179152
C 3.890083 -0.975509 -0.129491
C 2.509612 1.364223 -0.861938
C 4.552749 0.061828 -0.804427
C 3.864318 1.223748 -1.167248
C 4.616167 -2.219557 0.265042
H -1.796899 -0.870234 -0.951475
H -2.533151 -2.122617 0.067531
H -5.648613 -0.405210 -0.672120
H -4.526718 -1.459278 -1.573273
H -2.532387 1.492337 -0.312960
H -3.570118 1.026700 -1.684243
H -1.504433 -1.275931 2.027333
H -1.769266 0.449442 1.540235
H -4.378703 -3.011516 0.408735
H -5.334752 -1.894898 1.383185
H -6.080458 -2.730389 0.008396
H -5.624256 1.690638 -0.384642
H -4.651316 1.967636 1.059635
H -4.454192 3.021484 -0.351867
H 1.993999 -1.633010 0.705130
H 1.962550 2.268079 -1.139903
H 5.610135 -0.035977 -1.047877
H 4.387985 2.023397 -1.690279
H 4.142821 -3.113936 -0.165999
H 5.664373 -2.223352 -0.060843
H 4.619043 -2.349268 1.357581


%chk=000215968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215968

0 1
O -0.055502 -0.309086 0.643871
O 0.095622 1.778963 -0.389301
N -3.774926 -0.175577 -0.059412
C -2.353641 -0.513089 -0.308519
C -4.733003 -1.215030 -0.517008
C -4.124362 1.200957 -0.510279
C -1.505052 -0.057456 0.894542
C -4.738228 -2.463160 0.385971
C -5.283367 1.821009 0.292952
C 2.072824 0.351759 -0.248314
C 0.638927 0.702764 -0.029811
C 2.615306 -0.887378 0.172996
C 3.980524 -1.195488 -0.046644
C 2.897740 1.304435 -0.901625
C 4.791621 -0.232515 -0.700717
C 4.255791 1.007219 -1.124736
C 4.555332 -2.525049 0.411601
H -1.961875 -0.037811 -1.236791
H -2.244112 -1.605107 -0.430674
H -5.743011 -0.766759 -0.501396
H -4.536794 -1.515572 -1.577554
H -3.225825 1.833765 -0.387152
H -4.369212 1.215737 -1.602145
H -1.742109 -0.649532 1.791103
H -1.652768 1.017959 1.093268
H -3.752455 -2.963152 0.402885
H -4.994268 -2.180375 1.421863
H -5.479669 -3.199910 0.024104
H -6.216717 1.237971 0.189967
H -5.024483 1.860642 1.365381
H -5.490003 2.848387 -0.060745
H 1.960475 -1.606825 0.674975
H 2.457281 2.255084 -1.218917
H 5.850721 -0.455089 -0.879162
H 4.900378 1.736158 -1.627773
H 4.008310 -3.375024 -0.037069
H 5.618692 -2.623871 0.133996
H 4.481939 -2.635854 1.509769


