%chk=000198891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198891

1 1
O 1.041716 0.997227 -2.615163
O 2.546420 -0.704868 -2.500822
N -2.385955 0.665628 -0.885998
N 0.270669 0.962768 -0.485651
N 0.277482 1.727162 -1.681987
C -2.607397 -0.764609 -0.469049
C -3.673162 1.069815 -1.559571
C -4.119157 -0.963905 -0.245876
C -4.806936 0.206384 -0.971819
C -2.065737 1.557325 0.271046
C -0.569352 1.438559 0.645860
C 1.133759 -0.042402 -0.532273
C 1.498944 -0.995519 0.499227
C 1.736707 -0.064334 -1.930001
C 2.858400 -1.305553 0.698466
C 0.504684 -1.640688 1.264649
C 3.216723 -2.231458 1.680624
C 0.876009 -2.568909 2.233224
C 2.231599 -2.861441 2.447600
H -2.005551 -1.043396 0.419469
H -2.255798 -1.396310 -1.315683
H -3.538725 0.857959 -2.644130
H -3.878805 2.151641 -1.465688
H -4.457148 -1.937986 -0.643765
H -4.375994 -0.971901 0.827390
H -5.442284 0.787282 -0.280356
H -5.483844 -0.154732 -1.767688
H -2.294448 2.613227 -0.008414
H -2.675880 1.349959 1.181747
H -0.181827 2.440451 0.977195
H -0.425900 0.750362 1.516086
H -0.677816 1.839715 -2.116635
H 3.633728 -0.828281 0.092953
H -0.558056 -1.441297 1.078234
H 4.273015 -2.469295 1.843793
H 0.112004 -3.079894 2.825749
H 2.517114 -3.591090 3.212755


%chk=000198891-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198891

1 1
O 0.806839 -0.145837 -2.684948
O 3.143526 -0.332359 -2.169992
N -2.799137 0.517579 -1.208479
N -0.004536 -0.584389 -0.667547
N -0.398208 -0.269890 -1.958198
C -3.908253 -0.535219 -1.344205
C -3.522762 1.836016 -1.511823
C -5.192928 0.154037 -0.810250
C -4.893606 1.690929 -0.816742
C -2.104917 0.515561 0.156152
C -1.107968 -0.650166 0.324593
C 1.345295 -0.727221 -0.484525
C 2.042092 -1.119276 0.740656
C 1.983866 -0.412598 -1.759862
C 3.345997 -0.593582 0.980533
C 1.481100 -2.038007 1.678697
C 4.048739 -0.951140 2.147808
C 2.193262 -2.390119 2.841826
C 3.474613 -1.840939 3.085930
H -3.627270 -1.450234 -0.800436
H -3.981043 -0.778610 -2.416894
H -3.622268 1.892980 -2.609173
H -2.914606 2.686327 -1.166674
H -6.046732 -0.095850 -1.459694
H -5.447001 -0.195442 0.203526
H -4.862178 2.093494 0.209466
H -5.662921 2.259146 -1.362373
H -1.572495 1.477174 0.246553
H -2.870638 0.457284 0.946857
H -0.657999 -0.578250 1.328095
H -1.602181 -1.634863 0.247618
H -1.987702 0.328632 -1.888748
H 3.803752 0.082177 0.252035
H 0.528527 -2.538700 1.469342
H 5.048031 -0.540702 2.322830
H 1.763095 -3.110110 3.545345
H 4.027815 -2.120234 3.988198


