%chk=000288305.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288305

0 1
O 5.989419 0.802755 1.752070
O 2.610126 1.427803 -2.008709
O 1.478803 -3.499821 -1.297186
N 4.714112 -0.061062 -0.665192
N 0.025811 1.032305 -0.784608
N -0.616188 -1.695940 -0.458558
C 5.699336 -0.927810 0.046713
C 5.007394 1.377879 -0.413787
C 3.411074 -0.518011 -0.830020
C 5.720745 -0.599032 1.548826
C 5.040948 1.667916 1.095172
C 2.349403 0.466652 -1.334519
C 0.952790 0.060259 -0.956963
C 3.061479 -1.831056 -0.738531
C 0.629658 -1.309302 -0.807224
C 1.720749 -2.359415 -0.992394
C -1.237731 0.652747 -0.457885
C -1.560711 -0.732446 -0.271540
C -2.233664 1.740654 -0.325111
C -2.900466 -1.206484 0.140199
C -1.968560 2.837898 0.508842
C -3.433012 1.682042 -1.053545
C -3.499029 -2.279351 -0.540327
C -3.560960 -0.605730 1.224775
C -2.910554 3.863732 0.624914
C -4.366253 2.714097 -0.934286
C -4.761874 -2.731774 -0.148893
C -4.820502 -1.067896 1.611685
C -4.108413 3.802818 -0.093918
C -5.423611 -2.127076 0.924153
H 6.699573 -0.732112 -0.406987
H 5.478724 -2.005385 -0.124851
H 4.291901 2.046852 -0.943662
H 6.005244 1.592089 -0.867848
H 4.771890 -0.864056 2.047207
H 6.569440 -1.077572 2.071301
H 5.447183 2.671834 1.319190
H 4.051318 1.548151 1.568407
H 3.792783 -2.602949 -0.486019
H -1.025747 2.893513 1.052826
H -3.635084 0.834677 -1.708726
H -2.970939 -2.765493 -1.363187
H -3.093496 0.218165 1.763909
H -2.706403 4.715207 1.272586
H -5.296521 2.670553 -1.499336
H -5.226347 -3.562883 -0.678308
H -5.333151 -0.602536 2.452345
H -4.839380 4.604991 -0.003371
H -6.406808 -2.483397 1.228371


%chk=000288305-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288305

0 1
O 7.025168 -0.212803 1.248224
O 2.395217 2.053697 0.384695
O 1.378898 -3.158840 -1.156509
N 4.611684 0.322706 -0.261800
N -0.230281 1.271723 -0.163397
N -0.775325 -1.464255 -0.323849
C 5.716909 -0.490075 -0.824420
C 5.156554 1.349570 0.671521
C 3.297957 -0.129492 -0.284528
C 6.479467 -1.209176 0.311838
C 5.950049 0.635972 1.792397
C 2.180668 0.858610 0.025310
C 0.782290 0.362274 -0.179964
C 2.960542 -1.425080 -0.696701
C 0.495764 -1.009513 -0.443314
C 1.608101 -1.952500 -0.806832
C -1.522287 0.843644 -0.254166
C -1.793576 -0.579224 -0.101657
C -2.534480 1.885005 -0.569038
C -3.077357 -1.171370 0.349558
C -2.293072 3.230134 -0.175556
C -3.702286 1.585377 -1.323777
C -3.369078 -2.523340 0.012168
C -3.989825 -0.453262 1.172512
C -3.212462 4.246840 -0.504934
C -4.614050 2.606892 -1.660219
C -4.557444 -3.131566 0.463632
C -5.172063 -1.069285 1.630161
C -4.377953 3.939625 -1.246620
C -5.465558 -2.407042 1.272091
H 6.415426 0.209506 -1.321661
H 5.343864 -1.195024 -1.582862
H 4.344171 1.963704 1.079963
H 5.839363 2.004955 0.098400
H 5.804970 -1.911286 0.846540
H 7.351752 -1.759440 -0.076358
H 6.458521 1.373208 2.434882
H 5.258822 0.021663 2.409318
H 3.733818 -2.167266 -0.914588
H -1.375313 3.455684 0.376145
H -3.889244 0.560635 -1.660192
H -2.645388 -3.075757 -0.594779
H -3.768806 0.577435 1.466447
H -3.019084 5.277782 -0.188966
H -5.504982 2.365169 -2.250071
H -4.773970 -4.169882 0.189898
H -5.862202 -0.508756 2.270070
H -5.090953 4.730159 -1.506042
H -6.388435 -2.880737 1.625027


