%chk=000267140.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267140

0 1
O 3.015284 -3.001507 1.527399
O -1.119590 1.123308 0.544788
O -4.415586 -2.023279 -0.278989
O -0.750183 -2.188380 -0.973026
N 2.989174 -2.238254 -0.625614
N -2.631416 -0.654840 0.374011
N 0.072713 -3.152170 0.926183
C 4.253665 -1.440179 -0.466263
C 4.052218 -0.292056 0.544395
C 3.172944 0.831135 -0.019359
C 5.400802 -2.358717 -0.034369
C 2.472324 -2.973174 0.428371
C 3.031262 1.964290 0.962164
C 2.289261 -2.105850 -1.923439
C 1.189662 -3.797732 0.211876
C -1.866207 -1.651061 1.129425
C -3.126243 1.240800 -0.885605
C -4.136636 0.271090 -1.144695
C -2.121712 0.661389 0.066692
C -3.833342 -0.976986 -0.367579
C 1.791500 2.230108 1.562351
C 4.137166 2.771599 1.274325
C -0.808197 -2.316463 0.238092
C -3.161975 2.485123 -1.476431
C -5.185220 0.542857 -1.996227
C 1.663136 3.286335 2.468211
C 4.003506 3.825466 2.181452
C 2.767121 4.085340 2.781529
C -4.238083 2.766588 -2.352408
C -5.223606 1.820215 -2.605866
H 4.500736 -1.008572 -1.472964
H 3.609560 -0.690056 1.484359
H 5.039131 0.110798 0.843175
H 2.175114 0.423555 -0.287200
H 3.600009 1.216423 -0.967567
H 5.216686 -2.778564 0.969712
H 6.351127 -1.818105 0.004624
H 5.522874 -3.205673 -0.717190
H 2.584754 -2.915452 -2.610883
H 1.183647 -2.126575 -1.803092
H 2.527289 -1.142149 -2.403287
H 1.360397 -4.815364 0.638687
H 0.927604 -3.943413 -0.861997
H -2.567999 -2.431000 1.521960
H -1.387597 -1.151009 2.007026
H 0.152711 -3.147501 1.940889
H 0.919917 1.617416 1.319464
H 5.100706 2.576185 0.809938
H -2.389442 3.230570 -1.281336
H -5.960440 -0.197437 -2.199329
H 0.697812 3.485772 2.930079
H 4.864605 4.445936 2.421509
H 2.665185 4.905038 3.487973
H -4.284265 3.745576 -2.832732
H -6.044468 2.055007 -3.285811


%chk=000267140-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267140

0 1
O 2.807458 -2.875334 1.734528
O -0.893647 0.235031 0.757533
O -4.748696 -1.966082 -0.790786
O -0.820850 -2.730976 -1.293563
N 2.990666 -2.255726 -0.516367
N -2.720519 -1.141796 0.142081
N -0.000922 -3.459315 0.762964
C 4.216637 -1.415586 -0.259613
C 3.913983 -0.173945 0.619821
C 2.899506 0.812918 -0.020254
C 5.382045 -2.260327 0.303052
C 2.423907 -2.969606 0.518740
C 2.770638 2.106411 0.775113
C 2.471642 -2.261058 -1.904887
C 1.272423 -3.959382 0.217361
C -2.217339 -2.386838 0.705352
C -2.819220 1.057412 -0.603334
C -3.978238 0.391302 -1.074723
C -1.995183 0.079470 0.172198
C -3.931883 -1.032585 -0.610959
C 1.635139 2.357304 1.587980
C 3.803841 3.080039 0.735185
C -0.945306 -2.856276 -0.037403
C -2.586287 2.411890 -0.883167
C -4.943641 1.059295 -1.841845
C 1.541658 3.547443 2.347344
C 3.711559 4.270795 1.489278
C 2.578153 4.508221 2.302459
C -3.557724 3.096253 -1.659777
C -4.717715 2.430748 -2.131358
H 4.516530 -1.050936 -1.262916
H 3.551755 -0.506130 1.607959
H 4.874476 0.353957 0.785816
H 1.911447 0.322950 -0.099343
H 3.236785 1.046173 -1.052644
H 5.147202 -2.623501 1.315827
H 6.296589 -1.641383 0.350414
H 5.588708 -3.130013 -0.347109
H 3.016640 -2.986532 -2.541261
H 1.392027 -2.479830 -1.933410
H 2.607730 -1.255439 -2.338004
H 1.539165 -4.893705 0.741605
H 1.120040 -4.177611 -0.848824
H -3.011507 -3.143879 0.565621
H -2.026131 -2.264354 1.786886
H -0.064361 -3.377057 1.780242
H 0.823457 1.621689 1.613170
H 4.684192 2.905797 0.102320
H -1.685756 2.914905 -0.516403
H -5.834238 0.535478 -2.202554
H 0.659074 3.723989 2.973718
H 4.517764 5.012408 1.443014
H 2.504384 5.430134 2.890853
H -3.410169 4.154296 -1.900921
H -5.448497 2.985295 -2.729604


