%chk=000208343.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208343

0 1
O -3.076592 3.208103 1.038810
O -3.512507 0.759088 -0.101439
O 4.304997 -0.354020 -1.597564
N 0.130747 1.512233 0.459927
N 2.938015 0.802886 0.428240
N -7.004040 -3.349998 -1.542120
C 0.713246 0.715642 -0.669164
C 1.174885 2.433187 1.017693
C 1.902152 -0.116078 -0.149954
C 2.355778 1.598936 1.555663
C -1.083440 2.270050 0.027542
C -2.115702 2.157469 1.172724
C 4.191660 0.157913 0.711272
C -2.822642 0.791221 1.183689
C 4.957623 -0.376706 -0.378578
C 4.776194 0.120402 1.982072
C 6.238410 -0.888375 -0.186446
C 6.070948 -0.388172 2.174916
C 6.797881 -0.885760 1.101057
C -4.336773 -0.320861 -0.362304
C 5.035690 -0.809942 -2.760793
C -4.484975 -1.447610 0.451430
C -5.031690 -0.190045 -1.582476
C -5.346286 -2.467914 0.038992
C -5.883607 -1.208613 -1.985264
C -6.049018 -2.356553 -1.174526
H -0.071702 0.028973 -1.053471
H 1.047841 1.351696 -1.518107
H 1.547988 3.166174 0.268248
H 0.725093 3.012253 1.851960
H 2.353678 -0.675897 -1.002923
H 1.550092 -0.863672 0.593059
H 2.009549 0.959969 2.397690
H 3.136199 2.288515 1.945637
H -0.896475 3.343901 -0.186627
H -1.520023 1.845954 -0.903541
H -1.653600 2.363828 2.166794
H -3.568531 0.720170 1.992243
H -2.099154 -0.041844 1.225793
H 4.232472 0.486561 2.851018
H -3.692982 3.015637 0.294293
H 6.816966 -1.284149 -1.015064
H 6.497086 -0.390809 3.175791
H 7.802059 -1.278272 1.247683
H 5.283409 -1.870546 -2.665428
H 4.302390 -0.645042 -3.560668
H 5.926162 -0.194325 -2.918160
H -3.949028 -1.546140 1.390568
H -4.891054 0.704078 -2.186025
H -5.477674 -3.343814 0.670941
H -6.435064 -1.116014 -2.918955
H -7.189241 -3.413144 -2.534520
H -6.831811 -4.267823 -1.153330


%chk=000208343-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208343

0 1
O -3.129037 3.505639 0.666714
O -3.588060 0.929691 -0.201363
O 4.474891 -0.064510 -1.670330
N 0.102233 1.575691 0.233430
N 2.811860 0.579581 0.488541
N -6.741044 -3.679290 -1.154175
C 0.803922 0.972972 -0.928288
C 1.085789 2.234136 1.125885
C 1.845853 -0.049835 -0.451020
C 2.134645 1.226717 1.629627
C -1.027740 2.459720 -0.139805
C -2.139422 2.453467 0.939808
C 4.067093 -0.041708 0.715866
C -2.825238 1.086147 1.052024
C 4.943515 -0.380586 -0.375981
C 4.549594 -0.296476 2.030509
C 6.206349 -0.963500 -0.138114
C 5.824710 -0.857775 2.266777
C 6.655122 -1.202545 1.183122
C -4.352082 -0.248910 -0.365405
C 5.378561 -0.301998 -2.795991
C -4.409523 -1.303404 0.575219
C -5.091840 -0.344698 -1.567567
C -5.203523 -2.441316 0.311192
C -5.881364 -1.478372 -1.829363
C -5.953126 -2.551077 -0.891758
H 0.058939 0.459620 -1.563594
H 1.318664 1.749192 -1.547269
H 1.614444 3.067355 0.597373
H 0.560449 2.666707 1.997261
H 2.396830 -0.447584 -1.315031
H 1.316569 -0.888116 0.059082
H 1.629039 0.479300 2.287351
H 2.883675 1.769501 2.233362
H -0.712567 3.517027 -0.299827
H -1.465364 2.095700 -1.087856
H -1.708854 2.715191 1.923131
H -3.521758 1.065777 1.913554
H -2.059959 0.291421 1.147161
H 3.907402 -0.068431 2.886222
H -3.738174 3.145291 -0.031099
H 6.860419 -1.216256 -0.978085
H 6.154322 -1.035426 3.296294
H 7.641384 -1.647680 1.351059
H 5.614352 -1.378433 -2.909597
H 4.830541 0.051892 -3.682139
H 6.318654 0.272522 -2.684257
H -3.844208 -1.256720 1.510728
H -5.038490 0.477529 -2.288610
H -5.239173 -3.251910 1.049389
H -6.448778 -1.536224 -2.766337
H -7.279505 -3.749369 -2.011642
H -6.795394 -4.442934 -0.487877


