%chk=000281821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281821

0 1
O 1.915719 -0.839173 2.354049
O 2.514749 2.315067 0.488309
O -1.502289 2.319345 0.133333
O -2.000045 -3.023948 -0.407087
O 4.289736 1.094700 -0.333365
N 2.415863 -1.474109 -1.318070
N 0.456808 -1.874138 0.756928
N -3.982945 1.321920 -0.683366
N 4.571952 2.730202 1.290593
C 2.737350 -1.305680 0.137050
C 2.395739 -2.682787 -0.432145
C 1.555724 -0.825818 0.983579
C 0.982845 -3.068792 0.015927
C 0.875043 0.564630 0.770257
C -0.668720 -1.178240 0.282488
C -0.524465 0.178403 0.349960
C 3.550399 -1.316456 -2.251521
C 1.540510 1.499217 -0.235358
C -1.610248 1.112700 0.076485
C -1.944116 -1.836072 -0.181422
C -2.943125 0.449800 -0.273375
C -3.090688 -0.898606 -0.360688
C -4.260071 2.619248 -0.003229
C -5.250603 1.475954 0.093584
C -4.390237 -1.551049 -0.688021
C 3.843397 1.955899 0.402097
H 3.728103 -0.982850 0.473671
H 3.113651 -3.494033 -0.540779
H 0.327361 -3.352022 -0.836900
H 1.005423 -3.926909 0.720911
H 0.851316 1.080811 1.773377
H 3.944921 -0.281234 -2.173312
H 3.155902 -1.458294 -3.272746
H 4.396512 -2.002183 -2.105608
H 2.050679 -1.751240 2.692968
H 0.831590 2.277590 -0.593331
H 2.021306 0.985310 -1.086411
H -4.442355 3.461001 -0.680820
H -3.675743 2.936738 0.865922
H -5.394026 0.951751 1.039884
H -6.164963 1.479941 -0.508142
H -5.115405 -1.441404 0.129769
H -4.273773 -2.631029 -0.879765
H -4.842001 -1.108841 -1.591006
H 4.131437 3.473881 1.809752
H 5.578484 2.730501 1.236573


%chk=000281821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281821

0 1
O 1.864488 -0.979554 2.435654
O 2.634597 2.288181 0.630097
O -1.571589 2.410254 0.356661
O -2.030965 -3.063883 -0.328212
O 4.345610 1.293744 -0.665725
N 2.415029 -1.511394 -1.293254
N 0.446807 -1.820980 0.602572
N -4.004575 1.353644 -0.455031
N 4.789361 2.849761 1.028960
C 2.720031 -1.319991 0.172472
C 2.388504 -2.709521 -0.376060
C 1.529688 -0.850588 1.011955
C 0.967510 -3.092179 0.042520
C 0.873003 0.564571 0.860517
C -0.704033 -1.141094 0.287532
C -0.555361 0.232522 0.444094
C 3.585617 -1.411300 -2.208499
C 1.556984 1.560281 -0.097357
C -1.650068 1.132982 0.225914
C -1.978571 -1.789507 -0.167193
C -2.972390 0.478031 -0.196092
C -3.111236 -0.899640 -0.406072
C -4.421202 2.606291 0.189989
C -5.408727 1.438636 0.009575
C -4.395588 -1.509018 -0.927586
C 3.962431 2.073138 0.246485
H 3.729168 -1.023837 0.473622
H 3.159827 -3.481379 -0.475944
H 0.330778 -3.419351 -0.793590
H 0.974704 -3.894767 0.804925
H 0.886813 1.021761 1.868150
H 3.804081 -0.344816 -2.371786
H 3.316142 -1.892023 -3.164519
H 4.510222 -1.889669 -1.812364
H 2.286128 -1.865410 2.590593
H 0.833317 2.340733 -0.377589
H 1.974654 1.068472 -0.990607
H -4.491438 3.477913 -0.468193
H -4.030914 2.816940 1.190558
H -5.681285 0.862392 0.902213
H -6.176087 1.489606 -0.769731
H -5.222978 -1.447471 -0.195145
H -4.226118 -2.574145 -1.151983
H -4.731911 -0.995195 -1.847537
H 4.395630 3.456565 1.743970
H 5.790615 2.819994 0.862039


