%chk=000187558.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187558

0 1
O 2.758455 0.721580 0.244735
O 1.085355 1.006451 1.839932
O 1.757861 -2.250912 0.514143
O -2.916788 0.210568 1.468114
O 0.290476 -0.030260 -3.980178
O 2.854100 -3.521261 -0.889848
O 4.064635 -2.304532 0.659401
N -0.761956 0.159005 -0.059233
N -3.087985 0.055004 -0.800627
N -1.366031 0.009600 -2.394991
C -5.196440 0.035096 0.570390
C 1.573299 0.180325 0.781004
C 0.603856 0.143301 -0.407161
C 1.701561 -1.187352 1.498286
C -3.648050 0.116606 0.498097
C -5.820608 1.048700 -0.394695
C -5.601579 0.361893 2.012518
C -5.600614 -1.399333 0.210456
C -1.695523 0.072004 -1.118491
C 0.995336 0.081988 -1.699987
C 3.927546 0.803168 1.126818
C 1.010612 2.443211 1.572924
C 0.015090 0.015246 -2.804562
C 4.761558 1.907392 0.510175
C 1.275292 3.093092 2.915903
C 3.026768 -2.644255 0.140710
C 4.097346 -4.069341 -1.428556
H 2.569154 -1.223141 2.181673
H 0.773727 -1.432920 2.055814
H -5.418870 2.058886 -0.246561
H -6.906229 1.114659 -0.238638
H -5.675927 0.783626 -1.448082
H -5.089716 -0.291025 2.733893
H -6.679674 0.242249 2.162945
H -5.338694 1.391462 2.286248
H -5.135006 -2.134709 0.879765
H -6.686785 -1.532454 0.300268
H -5.331629 -1.673081 -0.815913
H -1.058561 0.235357 0.935386
H -3.701749 -0.015650 -1.628880
H 2.051074 0.081469 -1.980110
H 4.422090 -0.188423 1.076930
H 3.596762 1.031842 2.153181
H -0.011831 2.627584 1.200150
H 1.755964 2.716561 0.803789
H 5.777105 1.915648 0.923177
H 4.845601 1.769967 -0.579110
H 4.317576 2.897248 0.669056
H 1.072069 4.169849 2.884383
H 0.638992 2.653311 3.697942
H 2.314228 2.951870 3.238571
H 4.718193 -3.259375 -1.825029
H 4.623038 -4.633190 -0.652239
H 3.716324 -4.719805 -2.226686


%chk=000187558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187558

0 1
O 2.865262 0.663153 0.191492
O 1.104652 0.871390 1.858357
O 1.791331 -2.220489 0.004171
O -2.774328 0.078102 1.530651
O 0.204132 0.882627 -4.096067
O 3.022962 -3.505415 -1.322977
O 4.051413 -2.578603 0.570834
N -0.734842 0.288044 -0.156855
N -3.046012 0.295052 -0.768459
N -1.440100 0.569995 -2.441283
C -5.084899 0.058729 0.682791
C 1.589432 0.175284 0.653284
C 0.615639 0.370506 -0.510819
C 1.609914 -1.302340 1.144601
C -3.550696 0.143914 0.517766
C -5.865046 0.175808 -0.650342
C -5.502765 1.210677 1.643757
C -5.391164 -1.312596 1.355011
C -1.684407 0.389450 -1.155854
C 0.961113 0.563265 -1.824503
C 3.990766 0.617325 1.172938
C 1.015282 2.353111 1.737428
C -0.072385 0.686357 -2.877899
C 5.064015 1.562607 0.636825
C 0.408412 2.858153 3.044243
C 3.059790 -2.743487 -0.177994
C 4.305508 -4.164054 -1.672233
H 2.407097 -1.448183 1.891866
H 0.631187 -1.561104 1.574733
H -5.698621 1.148240 -1.152781
H -6.947159 0.105462 -0.442481
H -5.620634 -0.644193 -1.352706
H -4.939100 1.146349 2.589435
H -6.582242 1.133632 1.867048
H -5.314515 2.201680 1.191128
H -4.822419 -1.415649 2.294239
H -6.470232 -1.380275 1.583108
H -5.125626 -2.155430 0.690777
H -1.072032 0.198213 0.822861
H -3.680732 0.360263 -1.568546
H 2.011187 0.627685 -2.109999
H 4.364548 -0.420846 1.237993
H 3.617557 0.939651 2.164300
H 0.382361 2.615450 0.866498
H 2.027527 2.763529 1.561794
H 5.941754 1.555181 1.308769
H 5.394354 1.244630 -0.366920
H 4.685472 2.597092 0.564346
H 0.323480 3.959952 3.021843
H -0.598045 2.431531 3.196996
H 1.039453 2.574657 3.904251
H 5.085622 -3.406198 -1.853917
H 4.625560 -4.835755 -0.858236
H 4.082016 -4.727333 -2.588062


