%chk=000285816.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285816

0 1
O 5.161953 1.413918 2.578277
O 3.712594 -2.054881 -0.125214
O -5.162919 1.481844 -2.538318
O -3.709365 -2.061590 0.064237
N 4.210972 -0.433155 1.494667
N -4.209845 -0.394622 -1.508369
N 1.890468 0.211464 1.578268
N -1.890036 0.254484 -1.574244
C 0.000185 0.226445 0.001938
C 0.938694 -0.661355 0.831939
C -0.937156 -0.638280 -0.853365
C 2.954355 -0.523898 2.294753
C -2.953410 -0.461221 -2.311103
C 6.096351 0.512968 0.485555
C 5.653282 -0.557669 -0.340149
C -6.095741 0.520448 -0.471954
C -5.651387 -0.572986 0.322599
C 5.158915 0.644300 1.654048
C 4.410358 -1.153132 0.262637
C -5.158849 0.686064 -1.636523
C -4.408130 -1.149779 -0.297405
C 7.220930 1.242844 0.167192
C 6.333595 -0.903524 -1.487462
C -7.220872 1.239862 -0.132433
C -6.330960 -0.952189 1.459768
C 7.920309 0.892053 -1.012262
C 7.487918 -0.154479 -1.818707
C -7.919498 0.854784 1.036726
C -7.485851 -0.214012 1.812721
H 0.598647 0.907373 -0.636507
H -0.599185 0.887859 0.659753
H 1.534744 -1.328023 0.160535
H 0.349766 -1.325615 1.501417
H -1.532323 -1.324814 -0.201484
H -0.347354 -1.282173 -1.541704
H 2.736794 -1.611679 2.434592
H 3.163934 -0.060346 3.291167
H -2.734786 -1.544348 -2.481972
H -3.163780 0.030341 -3.293829
H 1.407879 0.880831 2.179358
H -1.408317 0.941225 -2.156124
H 7.563298 2.064049 0.797933
H 5.997662 -1.724253 -2.122069
H -7.564225 2.078477 -0.739278
H -5.994038 -1.790442 2.070496
H 8.811937 1.458661 -1.284809
H 8.040340 -0.409787 -2.724193
H -8.811547 1.412525 1.325691
H -8.037707 -0.495662 2.710710


%chk=000285816-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285816

0 1
O 1.213960 0.794617 3.034169
O 3.666823 -1.493702 -0.272028
O -1.130962 0.467221 -3.041690
O -3.719207 -1.563356 0.328940
N 2.448428 -0.631080 1.585056
N -2.424180 -0.845273 -1.538206
N 1.103361 -2.569611 2.439720
N -1.010158 -2.800724 -2.229077
C 0.024028 -2.540624 0.110486
C 0.660788 -3.351790 1.272758
C -0.538636 -3.468101 -1.003273
C 2.366282 -1.883889 2.428563
C -2.298091 -2.160286 -2.272105
C 2.122679 1.553568 0.836865
C 2.859816 0.863923 -0.157314
C -2.143148 1.396276 -0.957963
C -2.924423 0.784656 0.053259
C 1.845380 0.601637 1.962764
C 3.074085 -0.547737 0.307592
C -1.811009 0.357632 -1.988212
C -3.108515 -0.662464 -0.301453
C 1.766786 2.901044 0.680959
C 3.261776 1.498568 -1.341792
C -1.796532 2.753727 -0.893550
C -3.384321 1.510004 1.162105
C 2.173325 3.554137 -0.511854
C 2.908289 2.863264 -1.508505
C -2.260915 3.498103 0.222253
C -3.042460 2.885901 1.234603
H 0.779516 -1.866682 -0.336112
H -0.787758 -1.909340 0.519541
H 1.536337 -3.914180 0.891937
H -0.072864 -4.104331 1.625923
H -1.378434 -4.064954 -0.595730
H 0.250209 -4.189264 -1.296397
H 3.156730 -2.544652 2.032834
H 2.620943 -1.569561 3.455010
H -3.065332 -2.811471 -1.818169
H -2.565386 -1.948234 -3.321262
H 0.361013 -2.099975 2.964952
H -0.285428 -2.346901 -2.791836
H 1.195968 3.421504 1.456403
H 3.826806 0.955380 -2.105596
H -1.189355 3.213509 -1.679616
H -3.983602 1.026165 1.939555
H 1.918141 4.608015 -0.667826
H 3.205409 3.391620 -2.420712
H -2.014175 4.562179 0.305461
H -3.383386 3.484439 2.086069


