%chk=000240313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240313

0 1
O -2.375890 -3.171611 0.581534
O -3.137402 -1.429524 -0.422097
N -1.638554 1.018582 0.636135
N 2.629672 0.050859 -1.069903
N 0.439099 0.530679 -0.272875
N 1.432160 -1.676265 0.075356
N -2.232817 -2.030807 0.153031
C -2.956561 0.777108 1.291293
C -1.469556 2.449196 0.223904
C -4.114998 1.168258 0.361796
C -2.600274 2.867051 -0.729588
C -3.980507 2.621730 -0.106024
C 3.895535 -0.725792 -0.905931
C 2.862791 1.500705 -1.342145
C 4.776589 -0.121518 0.198883
C 3.724747 2.139544 -0.241401
C 5.038599 1.369979 -0.049161
C -0.781655 0.048520 0.188403
C 1.485437 -0.347958 -0.398549
C -0.969255 -1.382391 0.297330
C 0.233165 -2.176229 0.398269
C 0.202033 -3.593052 0.845488
H -2.972086 1.403991 2.214982
H -3.057528 -0.272181 1.632354
H -0.478206 2.610780 -0.259395
H -1.479387 3.067580 1.148723
H -5.078614 1.009714 0.879840
H -4.131447 0.481890 -0.516021
H -2.513674 2.300085 -1.679353
H -2.481923 3.933279 -0.997583
H -4.772946 2.852784 -0.843605
H -4.142923 3.312850 0.742802
H 4.418918 -0.703466 -1.887817
H 3.667780 -1.795086 -0.684851
H 1.890768 2.035521 -1.441802
H 3.370713 1.567229 -2.330545
H 5.732042 -0.675694 0.255842
H 4.285217 -0.262036 1.182911
H 3.155695 2.160140 0.709900
H 3.931545 3.195390 -0.496206
H 5.604332 1.798310 0.799968
H 5.683568 1.496388 -0.940092
H -0.359045 -4.226582 0.132707
H 1.207742 -4.025364 0.958889
H -0.334397 -3.698785 1.804605


%chk=000240313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240313

0 1
O -2.525909 -3.100344 0.923562
O -3.148471 -1.524159 -0.606752
N -1.796950 0.982501 0.387627
N 2.701501 0.148839 -0.608523
N 0.425590 0.528826 -0.152667
N 1.423930 -1.677721 0.152430
N -2.278396 -2.028369 0.225471
C -3.032999 0.773514 1.180112
C -1.610148 2.394534 -0.028251
C -4.286935 1.197586 0.384507
C -2.826542 2.867854 -0.858650
C -4.151688 2.664941 -0.087033
C 3.905173 -0.708420 -0.688790
C 2.900871 1.565151 -0.979522
C 5.053935 -0.116828 0.160156
C 4.036613 2.194513 -0.138114
C 5.332411 1.354268 -0.230728
C -0.810833 0.045556 0.173539
C 1.478041 -0.337436 -0.203652
C -0.982757 -1.391804 0.332870
C 0.199471 -2.206038 0.399928
C 0.178548 -3.691037 0.681176
H -2.944680 1.413545 2.086349
H -3.109862 -0.264739 1.526446
H -0.672230 2.461760 -0.597170
H -1.505028 3.027085 0.879460
H -5.178785 1.076774 1.028243
H -4.401157 0.519291 -0.478513
H -2.855036 2.294682 -1.805259
H -2.685433 3.934661 -1.119164
H -5.012824 2.944354 -0.722293
H -4.169582 3.340029 0.794639
H 4.223412 -0.766200 -1.751892
H 3.621430 -1.716234 -0.352638
H 1.945809 2.090381 -0.831318
H 3.164312 1.615983 -2.057643
H 5.960326 -0.735916 0.018689
H 4.777698 -0.174819 1.230904
H 3.707785 2.257669 0.917495
H 4.215143 3.228134 -0.491532
H 6.117833 1.784625 0.418457
H 5.719350 1.389787 -1.270650
H -0.480600 -4.231925 -0.021232
H 1.206964 -4.071719 0.592316
H -0.220801 -3.899334 1.687610


