%chk=000226184.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226184

0 1
O 0.186348 -0.029725 1.813870
O 4.994234 2.204477 0.721111
O 4.128827 -1.731033 -1.947157
O 5.932890 0.383345 -1.087402
N -6.067399 0.351248 -0.104293
N -0.402688 0.239721 -0.403923
C -8.174104 -0.602404 0.672807
C -8.086647 -0.824311 -0.845250
C -6.764306 -0.174388 1.116431
C -6.871700 -0.006804 -1.319532
C -4.652495 0.221118 -0.170999
C -3.980205 0.372052 -1.406946
C -3.879736 0.085854 1.005683
C -2.590527 0.377332 -1.462598
C -2.489652 0.091303 0.951762
C -1.833834 0.232593 -0.283155
C 0.512044 0.103938 0.649602
C 1.950109 0.163025 0.193317
C 2.444694 -0.793145 -0.682977
C 2.755417 1.192290 0.696634
C 4.095368 1.255109 0.300602
C 3.803292 -0.731469 -1.073688
C 4.642491 0.293124 -0.592169
C 4.528545 3.200849 1.668571
C 5.494210 -1.813655 -2.436104
C 6.973937 0.386137 -0.070997
H -8.912075 0.185557 0.908580
H -8.504861 -1.511727 1.200088
H -7.953409 -1.895717 -1.077517
H -9.010567 -0.505652 -1.355003
H -6.222841 -1.025625 1.579861
H -6.801236 0.649004 1.860631
H -7.189339 0.951281 -1.786053
H -6.283708 -0.567137 -2.073824
H -4.543802 0.500859 -2.328251
H -4.359970 -0.012796 1.976761
H -2.097554 0.496327 -2.425878
H -1.908649 -0.015747 1.875774
H -0.040923 0.357772 -1.353192
H 1.828866 -1.607065 -1.062915
H 2.333179 1.912160 1.393151
H 5.436362 3.798159 1.822844
H 4.206013 2.722171 2.598009
H 3.733527 3.805309 1.221880
H 5.423354 -2.645118 -3.146448
H 5.777424 -0.875471 -2.928542
H 6.171481 -2.038560 -1.608047
H 7.883084 0.381684 -0.680892
H 6.903593 1.302900 0.527898
H 6.898539 -0.504850 0.554886


%chk=000226184-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226184

0 1
O 0.212932 0.910705 1.722552
O 5.219706 2.020050 1.182939
O 4.066651 -0.929427 -2.567300
O 6.036380 0.676324 -1.121968
N -6.082118 -0.287259 -0.131189
N -0.419877 0.204040 -0.425988
C -8.343267 0.050831 0.524795
C -8.299926 -0.987559 -0.625653
C -6.889743 0.059244 1.056649
C -6.906976 -0.760605 -1.261001
C -4.696382 -0.161111 -0.186791
C -3.978809 -0.396750 -1.401679
C -3.934795 0.209044 0.965463
C -2.580656 -0.269049 -1.446336
C -2.535776 0.341145 0.917895
C -1.835928 0.099598 -0.294721
C 0.519561 0.556443 0.535992
C 1.955941 0.521366 0.077342
C 2.406974 -0.200859 -1.047915
C 2.886662 1.247232 0.860696
C 4.244599 1.277980 0.495533
C 3.776206 -0.192222 -1.412219
C 4.715799 0.562128 -0.652370
C 4.765731 2.843630 2.309328
C 5.398454 -1.529759 -2.762595
C 7.124006 0.285799 -0.197349
H -8.603034 1.048361 0.125203
H -9.074791 -0.205667 1.309487
H -8.362909 -2.011809 -0.214349
H -9.118370 -0.859066 -1.353991
H -6.751085 -0.685346 1.871002
H -6.602239 1.050476 1.458838
H -6.951897 -0.003663 -2.075169
H -6.494113 -1.692845 -1.694691
H -4.515978 -0.669689 -2.315006
H -4.441317 0.388481 1.919007
H -2.060128 -0.456601 -2.395436
H -1.971575 0.629981 1.806562
H -0.059230 0.028381 -1.366087
H 1.752731 -0.842901 -1.647049
H 2.502040 1.772673 1.738629
H 5.668665 3.359702 2.667502
H 4.342153 2.219264 3.118700
H 4.013108 3.584595 1.980412
H 5.259355 -2.237509 -3.595051
H 6.145835 -0.763271 -3.018163
H 5.723091 -2.078077 -1.857006
H 8.052343 0.439920 -0.768482
H 7.112584 0.919337 0.703466
H 7.025014 -0.781386 0.084563


