%chk=000103207.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000103207

0 1
O 3.283190 -0.149820 -0.611711
O 3.015961 3.088581 0.341265
O 2.434319 -0.470851 1.487801
O 1.808582 2.999516 -1.607624
O -3.479035 -0.014111 3.407072
O 0.129319 -1.115203 -3.274808
N 1.414072 -1.370581 -0.438092
N 0.837501 2.596521 0.505941
N -2.369415 -2.065770 3.924443
N -1.824285 0.234059 -3.552722
C 4.429026 0.620356 -0.055519
C 4.562036 1.778022 -1.046817
C 4.264339 3.132906 -0.416415
C 5.603607 -0.337222 -0.038951
C 2.372339 -0.657381 0.288510
C 0.336800 -2.104690 0.147610
C -0.488971 2.218576 0.128295
C -0.969079 -2.860218 2.036222
C 0.104034 -2.118037 1.532890
C 1.858064 2.895876 -0.401912
C -2.152309 1.618683 -1.519989
C -0.855932 2.051414 -1.214503
C -0.500139 -2.829920 -0.727408
C -1.807426 -3.578903 1.175731
C -1.422388 1.990222 1.162790
C -1.565233 -3.558268 -0.202419
C -1.222147 -2.881294 3.528237
C -3.083862 1.386348 -0.504542
C -2.712349 1.582251 0.832557
C -2.518473 1.383381 -2.969722
C -2.831143 -0.986546 3.552482
C -0.781521 -0.365484 -3.299809
H 4.145720 0.962962 0.968262
H 5.564545 1.795196 -1.517017
H 3.855567 1.598841 -1.898554
H 4.971468 3.413262 0.386900
H 4.187579 3.934991 -1.172938
H 6.533364 0.165462 0.251383
H 5.436395 -1.156891 0.674543
H 5.762774 -0.803127 -1.021222
H 1.492526 -1.378028 -1.468553
H 0.758589 -1.555860 2.207661
H 1.079442 2.563971 1.503686
H -0.138598 2.259201 -2.015949
H -0.317927 -2.822545 -1.804092
H -2.645324 -4.148021 1.573936
H -1.147127 2.127203 2.206673
H -2.216560 -4.118997 -0.874369
H -1.451692 -3.921945 3.875883
H -0.320075 -2.549447 4.100222
H -4.090768 1.047967 -0.739815
H -3.439820 1.399088 1.631045
H -2.289803 2.290836 -3.584779
H -3.612256 1.179972 -3.093685


%chk=000103207-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103207

0 1
O 3.286866 -0.217296 -0.701426
O 2.487710 2.342181 1.059332
O 2.917168 -1.137141 1.435784
O 1.590576 3.065358 -0.989352
O -0.466368 1.011015 3.603958
O 0.330277 -1.108780 -3.289925
N 1.485274 -1.557243 -0.405619
N 0.245971 2.186906 0.755674
N -0.948471 -1.306037 4.197398
N -1.408433 0.487987 -3.906952
C 4.559671 0.425714 -0.222139
C 4.444183 1.933909 -0.518287
C 3.831205 2.791454 0.602768
C 5.711305 -0.253728 -0.973618
C 2.583743 -0.994802 0.230403
C 0.420384 -2.245390 0.233024
C -1.001075 2.048161 0.088910
C -0.886829 -2.822751 2.227077
C 0.245806 -2.218569 1.638465
C 1.436638 2.575619 0.160148
C -2.328927 1.703234 -1.944199
C -1.086794 1.957350 -1.321780
C -0.524483 -2.934997 -0.576155
C -1.831156 -3.502461 1.424448
C -2.183262 1.937090 0.870683
C -1.631705 -3.564554 0.024306
C -1.092943 -2.686697 3.735850
C -3.504955 1.586070 -1.168276
C -3.422418 1.718062 0.238366
C -2.364354 1.502027 -3.458567
C -0.701880 -0.168095 3.843727
C -0.550229 -0.293080 -3.541183
H 4.627808 0.228407 0.863893
H 5.462491 2.336363 -0.694337
H 3.873644 2.073903 -1.452292
H 4.428577 2.734756 1.527872
H 3.753050 3.842271 0.267345
H 6.681745 0.149593 -0.630023
H 5.706617 -1.342095 -0.791202
H 5.626362 -0.081530 -2.061327
H 1.406703 -1.396150 -1.417673
H 0.999856 -1.719775 2.252741
H 0.285283 1.929327 1.750033
H -0.179275 2.080640 -1.918571
H -0.390345 -2.962017 -1.662704
H -2.714593 -3.966818 1.877668
H -2.120024 2.013280 1.961070
H -2.355410 -4.092772 -0.606004
H -2.098787 -3.042515 4.023187
H -0.358680 -3.296787 4.296601
H -4.468906 1.382705 -1.648763
H -4.328465 1.633348 0.848125
H -2.119745 2.439557 -3.993748
H -3.372898 1.192295 -3.786629


