%chk=000273737.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273737

0 1
O -3.198754 0.651114 2.637438
O -3.697277 -0.499404 0.764172
N -0.592331 0.010407 1.024506
C 0.364051 -0.185074 -0.133080
C -1.717498 0.965234 0.766223
C 0.048468 0.491110 2.296967
C -1.397165 2.301844 1.472559
C -0.247565 1.997800 2.449318
C 1.364834 -1.294445 0.237010
C -0.366079 -0.777124 -1.350150
C 1.040459 1.157695 -0.453709
C -2.962066 0.270981 1.335765
C 2.603195 -1.371614 -0.421096
C -1.540673 -1.526649 -1.206362
C 2.218333 1.545772 0.203605
C 1.021558 -2.294361 1.159271
C 0.207367 -0.650701 -2.627888
C 0.443025 2.057485 -1.351339
C 3.498609 -2.402305 -0.125970
C -2.159699 -2.095397 -2.324649
C 2.796568 2.793431 -0.046552
C 1.920357 -3.323556 1.454248
C -0.409071 -1.223344 -3.741696
C 1.020790 3.304896 -1.601048
C 3.163674 -3.377468 0.818543
C -1.600341 -1.942191 -3.594944
C 2.201342 3.676688 -0.951318
C -4.340384 0.037701 3.294516
H -1.905111 1.111444 -0.328553
H 1.130181 0.268934 2.332766
H -0.434011 -0.084904 3.118183
H -2.278274 2.704279 2.002822
H -1.094602 3.063045 0.731822
H 0.642698 2.604599 2.208756
H -0.528947 2.241008 3.487138
H 2.871377 -0.633208 -1.176842
H -1.989990 -1.677510 -0.219814
H 2.694617 0.874698 0.920283
H 0.041694 -2.281891 1.641613
H 1.144763 -0.110316 -2.758433
H -0.479040 1.786810 -1.868751
H 4.457371 -2.448655 -0.639248
H -3.081970 -2.660737 -2.195885
H 3.714430 3.076139 0.466447
H 1.644386 -4.090022 2.176391
H 0.042163 -1.113931 -4.725854
H 0.549031 3.987890 -2.305791
H 3.862457 -4.178480 1.049092
H -2.082818 -2.384272 -4.463685
H 2.652962 4.646703 -1.148222
H -4.412752 0.603441 4.228322
H -4.123019 -1.020012 3.471215
H -5.236223 0.148523 2.674785


%chk=000273737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273737

0 1
O -2.992877 0.254187 2.679573
O -3.988021 -0.092316 0.608057
N -0.579701 0.167230 0.985254
C 0.386487 -0.105138 -0.151042
C -1.770030 1.027816 0.719317
C 0.000506 0.656733 2.274892
C -1.508041 2.416419 1.399841
C -0.308948 2.180449 2.367999
C 1.347997 -1.253283 0.283876
C -0.369366 -0.711678 -1.370733
C 1.136421 1.212726 -0.504062
C -3.027085 0.345173 1.281346
C 2.560432 -1.483969 -0.415897
C -1.503093 -1.538558 -1.173426
C 2.351731 1.567977 0.140540
C 0.970005 -2.171245 1.294753
C 0.146694 -0.582985 -2.686409
C 0.541925 2.175904 -1.365556
C 3.383755 -2.584409 -0.096010
C -2.126713 -2.186680 -2.260102
C 2.947980 2.831796 -0.063148
C 1.792157 -3.272896 1.617719
C -0.470334 -1.236641 -3.774870
C 1.134630 3.439233 -1.573479
C 3.006745 -3.484759 0.927238
C -1.615614 -2.038896 -3.569311
C 2.342640 3.777795 -0.920811
C -4.150123 -0.432870 3.302856
H -1.949946 1.115367 -0.363163
H 1.077692 0.434228 2.322491
H -0.495368 0.125465 3.107137
H -2.402578 2.776354 1.935607
H -1.249590 3.161456 0.629429
H 0.563428 2.773007 2.044324
H -0.557221 2.468610 3.403977
H 2.862121 -0.805902 -1.221631
H -1.895407 -1.676975 -0.163130
H 2.846016 0.848406 0.801521
H 0.021834 -2.015762 1.818101
H 1.037570 0.027374 -2.867345
H -0.387080 1.932995 -1.892760
H 4.316389 -2.741446 -0.649906
H -3.012090 -2.806394 -2.080691
H 3.887134 3.074947 0.446960
H 1.480234 -3.968687 2.405160
H -0.053624 -1.120724 -4.781988
H 0.654662 4.157317 -2.248294
H 3.645318 -4.339979 1.175527
H -2.098059 -2.543289 -4.414090
H 2.805750 4.757513 -1.082930
H -3.954425 -0.388830 4.383541
H -4.209441 -1.476820 2.951189
H -5.088377 0.086754 3.045457


