%chk=000288534.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288534

0 1
O -4.305171 0.350823 0.649622
O 1.678727 -1.941171 -0.488652
O 2.322476 1.985340 0.395957
O 0.313843 2.643257 -0.128667
O 0.582199 -3.647215 -1.356724
N -1.738174 0.537243 -0.634006
C -2.093596 1.419485 0.514120
C -2.961448 0.095587 -1.366825
C -0.612544 -0.290119 -0.595976
C -3.149496 0.748991 1.411844
C -3.982258 -0.556844 -0.422662
C 0.689301 0.238581 -0.219348
C -0.691879 -1.614581 -1.010266
C 1.776924 -0.665329 -0.156362
C 0.953692 1.633771 -0.031281
C 0.391539 -2.512648 -1.039227
C 3.077077 -0.251501 0.259605
C 3.301573 1.067363 0.531152
C 4.569646 1.685129 0.976530
H -2.482954 2.376361 0.089954
H -1.206270 1.690221 1.123322
H -2.697654 -0.578752 -2.209847
H -3.403193 1.014339 -1.825058
H -2.746466 -0.131373 1.942367
H -3.583666 1.461859 2.137678
H -4.964485 -0.709949 -0.906122
H -3.618181 -1.508160 0.003094
H -1.640334 -2.057879 -1.317761
H 3.861159 -1.005705 0.336071
H 5.376082 1.532053 0.239253
H 4.918278 1.256016 1.930909
H 4.469053 2.776111 1.125307


%chk=000288534-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288534

0 1
O -4.430512 0.471300 0.609543
O 1.735884 -1.982227 -0.468527
O 2.314213 2.028163 0.382709
O 0.218858 2.624864 -0.346728
O 0.550602 -3.753857 -1.404141
N -1.760637 0.426210 -0.522554
C -2.086197 1.360134 0.585499
C -2.959279 0.104763 -1.333010
C -0.605316 -0.338072 -0.578620
C -3.243179 0.767791 1.426626
C -4.086121 -0.482521 -0.458359
C 0.703542 0.222150 -0.194478
C -0.647645 -1.668865 -1.040608
C 1.814928 -0.657983 -0.133120
C 0.957777 1.655503 -0.092169
C 0.465361 -2.564130 -1.056197
C 3.122423 -0.223064 0.259139
C 3.337642 1.109563 0.535110
C 4.631136 1.733881 0.980513
H -2.369124 2.341186 0.165459
H -1.213173 1.512410 1.235886
H -2.692965 -0.565133 -2.165805
H -3.319499 1.058291 -1.766562
H -2.900845 -0.157641 1.939973
H -3.580508 1.500827 2.177944
H -5.011332 -0.622622 -1.040528
H -3.775396 -1.453492 -0.015880
H -1.593600 -2.131349 -1.327398
H 3.928369 -0.955036 0.323741
H 5.422389 1.578434 0.225382
H 4.981113 1.285616 1.927161
H 4.494891 2.816210 1.128000


