%chk=000259375.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259375

0 1
O -0.602498 2.085705 -0.887032
O -1.997657 2.138847 2.435160
O 1.225813 2.429755 1.957033
O 2.026990 -0.264360 -0.936203
O 2.628773 -0.032586 1.234879
N -2.769926 1.456213 -0.233105
N -4.671725 0.593231 -1.220596
N -2.072251 -0.604965 1.039228
N -3.610914 -2.481535 0.711270
N -5.526341 -2.349131 -0.669255
N 5.709553 -1.350702 -2.245474
C -1.094031 2.508593 1.427582
C 0.192458 1.648507 1.358698
C -1.687293 2.436582 -0.019309
C 0.501114 1.484097 -0.149993
C 0.635549 0.037229 -0.621921
C -2.873044 0.125714 0.191683
C -3.896967 1.672164 -1.109335
C -4.066421 -0.394369 -0.424572
C -4.421334 -1.746277 -0.138212
C 2.937639 -0.309299 0.094071
C -2.507218 -1.881627 1.244912
C 4.263057 -0.713376 -0.410627
C 5.329663 -0.839532 0.495850
C 4.493564 -0.978733 -1.778536
C 6.582704 -1.222466 0.016954
C 6.734442 -1.469275 -1.358317
H -0.843707 3.569430 1.690830
H 0.088564 0.680004 1.896232
H -2.033679 3.430385 -0.396935
H 1.385057 2.094295 -0.453664
H 0.149985 -0.116986 -1.607662
H 0.271804 -0.707977 0.108472
H -2.105166 1.154272 2.495898
H 1.989041 1.835392 2.185532
H -4.056209 2.627302 -1.592700
H -1.897631 -2.507665 1.921137
H -6.142365 -1.835348 -1.282336
H -5.756657 -3.303581 -0.438157
H 5.167310 -0.638203 1.559496
H 3.681554 -0.889865 -2.517089
H 7.428700 -1.328718 0.693776
H 7.701202 -1.772943 -1.781865


%chk=000259375-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259375

0 1
O -0.620495 2.034563 -0.958652
O -1.884761 2.094369 2.536856
O 1.188065 1.516564 2.156674
O 2.343687 -0.059410 -1.293844
O 2.708252 -0.503513 0.963663
N -2.804497 1.321726 -0.220787
N -4.403461 0.292528 -1.528181
N -2.908227 -0.224722 1.755616
N -4.532664 -2.032653 1.444909
N -5.845062 -2.235736 -0.508286
N 6.321330 -0.635930 -2.313852
C -1.016558 2.264228 1.411903
C 0.116087 1.212962 1.229777
C -1.699085 2.296420 0.004979
C 0.541654 1.383726 -0.254274
C 0.880243 0.100053 -1.040672
C -3.258343 0.209660 0.505543
C -3.534555 1.310156 -1.428864
C -4.239052 -0.405777 -0.318047
C -4.884737 -1.568520 0.196230
C 3.148193 -0.390060 -0.214165
C -3.586971 -1.346539 2.145243
C 4.568939 -0.592621 -0.603787
C 5.510366 -0.939622 0.399381
C 5.021944 -0.452659 -1.943708
C 6.855667 -1.131903 0.028512
C 7.213483 -0.970607 -1.331834
H -0.526375 3.245690 1.546482
H -0.286424 0.193868 1.405370
H -2.105435 3.291607 -0.238313
H 1.389073 2.094155 -0.306966
H 0.459440 0.169559 -2.054622
H 0.512305 -0.806942 -0.527846
H -2.238399 1.133958 2.522989
H 1.849968 0.773601 2.092602
H -3.364691 2.062926 -2.195607
H -3.347509 -1.733736 3.139341
H -6.122594 -1.900914 -1.429032
H -6.284605 -3.054964 -0.093043
H 5.173052 -1.050668 1.434830
H 4.320874 -0.185050 -2.739595
H 7.614107 -1.400178 0.769654
H 8.249272 -1.111400 -1.660778


