%chk=000231117.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231117

0 1
O -2.854149 2.842901 0.381982
O -5.347762 1.358885 0.158535
O 2.917848 0.869790 2.445720
O 3.504330 0.219307 -2.438497
O 4.696125 1.148984 0.101434
N -2.899263 -2.705554 -0.306198
C -0.414072 -1.353497 -0.181399
C -1.632656 -0.602247 -0.075382
C 0.901526 -0.665434 -0.112597
C -2.861091 -1.325417 -0.142084
C -0.467375 -2.717098 -0.347181
C -1.666647 0.816809 0.069957
C -1.746145 -3.371960 -0.405112
C 1.653178 -0.504312 -1.278947
C 1.363613 -0.181117 1.113490
C -4.108411 -0.633422 -0.022870
C -2.872869 1.467529 0.169329
C -4.112465 0.731849 0.135226
C 2.623839 0.443105 1.180468
C 2.911455 0.123806 -1.209760
C 3.433977 0.564267 0.027851
C -1.805590 -4.853934 -0.582486
C -3.365389 3.606711 -0.746413
C -5.598059 2.164507 1.344004
C 4.021959 1.792357 2.641847
C 4.656947 1.087247 -2.601486
C 5.745219 0.170568 0.362398
H 0.439085 -3.312482 -0.433171
H -0.733475 1.383979 0.102375
H 1.283399 -0.846346 -2.243746
H 0.767868 -0.273116 2.020368
H -5.039770 -1.202476 -0.060309
H -2.845225 -5.222295 -0.611822
H -1.325689 -5.162848 -1.521694
H -1.300270 -5.374911 0.242800
H -2.695459 3.483907 -1.601647
H -4.386314 3.291898 -0.990246
H -3.338030 4.631929 -0.362954
H -6.537206 2.665412 1.086319
H -5.723485 1.499296 2.202962
H -4.786661 2.882843 1.511274
H 3.757978 2.258711 3.598550
H 4.076477 2.528411 1.832377
H 4.949989 1.219521 2.713413
H 5.554281 0.540588 -2.300693
H 4.547139 2.010100 -2.021461
H 4.642179 1.280653 -3.680660
H 6.644186 0.794090 0.386516
H 5.785466 -0.563674 -0.446945
H 5.570466 -0.321921 1.323066


%chk=000231117-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231117

0 1
O -2.811276 2.900543 0.603511
O -5.316078 1.410450 0.569826
O 2.999413 1.205963 2.234159
O 4.165103 -0.689871 -2.193606
O 4.977106 0.775026 0.173126
N -2.929799 -2.618073 -0.591031
C -0.370518 -1.297262 -0.395519
C -1.588368 -0.552406 -0.152102
C 0.989303 -0.694133 -0.263024
C -2.845094 -1.273333 -0.250404
C -0.495779 -2.645509 -0.759929
C -1.629396 0.852495 0.117642
C -1.780655 -3.277820 -0.853637
C 1.949768 -0.883305 -1.288018
C 1.358917 0.041729 0.893447
C -4.070055 -0.585899 0.017410
C -2.838484 1.511408 0.336845
C -4.078397 0.771564 0.331791
C 2.665321 0.551013 1.026662
C 3.263421 -0.377835 -1.161374
C 3.644213 0.322971 0.017749
C -1.887018 -4.738666 -1.238985
C -3.507570 3.735558 -0.405230
C -5.464419 1.978690 1.931450
C 3.425556 2.617759 2.087449
C 4.933389 0.431048 -2.781038
C 5.740554 0.024301 1.202913
H 0.403302 -3.244187 -0.940843
H -0.712241 1.447619 0.121709
H 1.693422 -1.416989 -2.208151
H 0.656553 0.201281 1.716346
H -5.007058 -1.147119 -0.023368
H -2.943707 -5.046692 -1.229918
H -1.472695 -4.916725 -2.249489
H -1.321052 -5.380031 -0.537349
H -2.997022 3.649049 -1.383048
H -4.565524 3.434202 -0.505183
H -3.431880 4.768217 -0.032162
H -6.446400 2.475478 1.934895
H -5.450891 1.165713 2.681641
H -4.659914 2.704687 2.146926
H 3.670320 2.954100 3.106324
H 2.593452 3.223870 1.681618
H 4.308630 2.697309 1.428979
H 5.533904 0.942910 -2.011515
H 4.243890 1.147747 -3.267709
H 5.581758 -0.035298 -3.538171
H 6.738701 0.487774 1.224505
H 5.820896 -1.039110 0.912315
H 5.249399 0.115687 2.188064


