%chk=000212916.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212916

0 1
O -0.364229 -0.694656 0.820122
O -3.202936 -0.317134 -1.096945
O 0.836164 0.068484 2.623167
O -2.037056 -1.968572 -2.197920
N 1.722504 -1.483309 1.096747
N -4.150871 -2.350626 -1.296893
C -1.864842 1.151207 0.293132
C -0.705344 2.172643 0.222803
C -1.559502 0.003213 1.281032
C -2.030038 0.561409 -1.130065
C -3.177912 1.816054 0.727876
C -0.388909 2.853983 1.560693
C 0.662303 3.949140 1.392968
C 3.858555 -0.254369 0.549391
C 0.769327 -0.604704 1.614644
C 3.147046 -1.268018 1.457222
C 4.086084 -0.785561 -0.870268
C 4.860364 0.224906 -1.729075
C -3.025390 -1.592749 -1.605012
C 5.079056 -0.294156 -3.148034
H -0.944943 2.945751 -0.532879
H 0.207163 1.659422 -0.142936
H -2.331444 -0.787822 1.242934
H -1.419922 0.360723 2.316933
H -2.288684 1.323088 -1.882599
H -1.137060 -0.013912 -1.445435
H -4.024259 1.124219 0.621037
H -3.401732 2.695406 0.113414
H -3.143392 2.150766 1.770293
H -0.020923 2.097419 2.290818
H -1.308057 3.284355 2.001362
H 0.897666 4.414973 2.357235
H 1.599795 3.549601 0.990150
H 0.322340 4.742120 0.718480
H 3.281800 0.691748 0.515469
H 4.830727 0.013900 1.010517
H 3.647906 -2.262016 1.414277
H 3.197279 -0.925724 2.519767
H 4.638372 -1.744644 -0.833332
H 3.116708 -1.015191 -1.353280
H 1.547048 -1.874344 0.167865
H 5.837736 0.449575 -1.258631
H 4.313278 1.187562 -1.763808
H 5.652400 -1.228230 -3.154168
H 4.128889 -0.490832 -3.658358
H 5.631260 0.432526 -3.754770
H -4.975854 -1.904881 -0.926400
H -4.289573 -3.223543 -1.785641


%chk=000212916-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212916

0 1
O -0.543904 -0.733908 0.895034
O -3.166732 -0.484199 -0.971394
O 0.969229 0.111011 2.511333
O -1.683620 -1.920098 -2.137415
N 1.595051 -1.472465 0.887689
N -3.777700 -2.634099 -1.358345
C -1.981484 1.241075 0.384019
C -0.824075 2.279586 0.240013
C -1.632610 0.129420 1.404565
C -2.173982 0.618701 -1.022066
C -3.299311 1.909045 0.855581
C -0.498316 3.128852 1.490433
C 0.653736 4.120954 1.216639
C 3.946730 -0.592328 0.578871
C 0.716644 -0.629173 1.522669
C 3.002739 -1.580902 1.303920
C 4.061513 -0.833787 -0.942015
C 5.019236 0.160120 -1.638815
C -2.770401 -1.710677 -1.544695
C 5.148052 -0.090288 -3.156709
H -1.078899 2.964954 -0.596778
H 0.096787 1.743656 -0.069986
H -2.494810 -0.544237 1.539716
H -1.328243 0.555913 2.376142
H -2.575055 1.372749 -1.724165
H -1.225954 0.209077 -1.411110
H -4.144783 1.203849 0.764420
H -3.526339 2.798831 0.239136
H -3.236011 2.237508 1.908712
H -0.205674 2.464340 2.324639
H -1.395494 3.692900 1.812183
H 0.877949 4.731309 2.110488
H 1.578530 3.581261 0.938440
H 0.401434 4.810714 0.388425
H 3.596097 0.439995 0.774885
H 4.951516 -0.678748 1.041793
H 3.333947 -2.621608 1.123551
H 3.038629 -1.394151 2.391653
H 4.416337 -1.870388 -1.126246
H 3.058517 -0.755976 -1.410302
H 1.244430 -1.986876 0.078213
H 6.020142 0.094264 -1.164899
H 4.659872 1.194248 -1.461351
H 5.537064 -1.106132 -3.359352
H 4.165736 -0.002405 -3.658040
H 5.835194 0.635114 -3.629846
H -4.630142 -2.376101 -0.867822
H -3.652673 -3.571702 -1.727910


