%chk=000203190.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203190

0 1
O -2.905802 0.332231 -0.858492
O 3.735491 0.069185 -2.547766
O -0.366198 0.959775 2.455996
O -2.763781 0.708050 1.369682
N -6.315112 -1.045510 -0.299981
N 6.180532 0.117041 0.048194
N 3.459319 0.597180 -0.312538
C -4.823581 -1.024628 -0.200247
C -6.837597 -2.388754 -0.683258
C -6.951512 -0.496458 0.943298
C -4.368208 0.327259 -0.765902
C 5.742050 0.527103 -1.317405
C 7.258515 1.027329 0.566606
C 6.607195 -1.322244 0.089381
C -6.561146 -3.529185 0.299958
C -8.392109 -0.074876 0.651224
C 4.227815 0.350911 -1.473871
C 7.347190 0.910431 2.087795
C 5.433589 -2.253017 -0.204500
C 2.046790 0.558957 -0.208575
C -0.758163 0.540608 0.091895
C -2.196588 0.540712 0.291297
C 1.494134 0.763967 1.065982
C 0.097227 0.754986 1.205367
C 1.208072 0.341301 -1.332377
C -0.163953 0.335715 -1.174206
H -4.371391 -1.844257 -0.799236
H -4.438489 -1.151890 0.835771
H -7.935591 -2.282355 -0.836597
H -6.410598 -2.636644 -1.681130
H -6.368299 0.394434 1.269664
H -6.927674 -1.215728 1.790679
H -4.695180 1.183448 -0.153050
H -4.651379 0.469948 -1.824316
H 5.971725 1.599630 -1.517517
H 6.234014 -0.044448 -2.139571
H 8.249900 0.821646 0.107443
H 6.993769 2.075241 0.298420
H 7.447644 -1.536761 -0.606695
H 6.984637 -1.523415 1.119133
H -6.998036 -3.329468 1.285236
H -5.488465 -3.694094 0.446787
H -6.989269 -4.470558 -0.061260
H -8.804340 0.507869 1.481530
H -9.047626 -0.937451 0.489385
H -8.444946 0.545750 -0.253456
H 6.361644 1.037800 2.555732
H 7.727340 -0.067370 2.406733
H 8.013122 1.676673 2.500559
H 4.561853 -2.012771 0.419009
H 5.107587 -2.202986 -1.250764
H 5.703220 -3.295773 0.000368
H 3.984493 0.733711 0.568938
H 2.104571 0.931470 1.949603
H 1.653766 0.176625 -2.319622
H -0.820716 0.170357 -2.035422
H -1.401356 0.948699 2.508490


%chk=000203190-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203190

0 1
O -2.881856 0.521855 -0.869648
O 3.907857 -0.011297 -2.894000
O -0.218967 0.199795 2.427857
O -2.594195 0.424232 1.442101
N -6.386993 -0.752285 -0.229719
N 6.125578 -0.044462 0.063497
N 3.543780 -0.068236 -0.550106
C -4.952099 -0.843010 -0.578163
C -7.273307 -1.652948 -1.006973
C -6.625162 -0.715537 1.237086
C -4.361216 0.580126 -0.651033
C 5.817123 -0.300591 -1.367927
C 6.444964 1.399214 0.304320
C 7.141051 -0.981017 0.632547
C -7.123512 -3.173302 -0.724042
C -8.012277 -0.164638 1.614912
C 4.318630 -0.097922 -1.699787
C 6.239450 1.834756 1.766158
C 6.585248 -2.397561 0.865505
C 2.147274 0.058696 -0.406640
C -0.655501 0.301165 0.000741
C -2.091350 0.415056 0.259758
C 1.625930 0.073335 0.909450
C 0.237966 0.192687 1.125344
C 1.271018 0.166819 -1.533189
C -0.105303 0.284946 -1.311790
H -4.838669 -1.332041 -1.562661
H -4.366589 -1.442261 0.155679
H -8.320287 -1.348060 -0.824451
H -7.080357 -1.462102 -2.080129
H -5.849158 -0.062834 1.678623
H -6.482187 -1.720880 1.706206
H -4.564573 1.138676 0.277760
H -4.747142 1.128529 -1.522855
H 6.400048 0.338761 -2.064494
H 6.058925 -1.348430 -1.623956
H 7.486740 1.631149 -0.023004
H 5.770280 1.993494 -0.340124
H 8.046803 -1.026853 -0.018513
H 7.469461 -0.566114 1.601544
H -7.372183 -3.420817 0.323900
H -6.091342 -3.517800 -0.920889
H -7.803778 -3.751576 -1.376832
H -8.093170 -0.061729 2.712651
H -8.829834 -0.830267 1.283631
H -8.168237 0.827696 1.155894
H 5.198741 1.647176 2.085520
H 6.912897 1.305100 2.463191
H 6.441433 2.916519 1.868339
H 5.730151 -2.368103 1.563421
H 6.243745 -2.872684 -0.072010
H 7.367949 -3.046622 1.299168
H 4.155051 -0.142810 0.290704
H 2.280276 -0.010693 1.783235
H 1.691092 0.154310 -2.539992
H -0.791565 0.367366 -2.159570
H -1.238554 0.289425 2.396156


